SCHEMBL571512

SCHEMBL571512

CC(C)(C)c1cc(=O)cc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
GPR84 Q9NQS5 1/20 0.37
ALDH1A1 P00352 6/20 0.36
LMNA P02545 4/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 4/20 0.32
HPGD P15428 4/20 0.32
GLA P06280 3/20 0.32
HSD17B10 Q99714 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
TP53 P04637 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
DYRK1A Q13627 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15801520 0.83 GPR84 (0.33) GPR84HSD17B10
SCHEMBL2632908 0.69
SCHEMBL796518 0.67
Hydrochloric Acid SCHEMBL9285711 0.67
SCHEMBL12755333 0.66 PIM1 (0.38) DAOALDH1A1LMNABLMKDM4E
SCHEMBL12755331 0.66 CHEK1 (0.37) DAOALDH1A1LMNAPOLBMAPT
SCHEMBL3708688 0.66 GPR84 (0.39) GPR84ALDH1A1LMNAPOLBKDM4E
SCHEMBL2054595 0.65 NOTUM (0.42) GPR84ALDH1A1MAPTL3MBTL1HPGD
SCHEMBL19935941 0.63 JAK2 (0.43) GPR84KMT2A
SCHEMBL22244098 0.62 DAO (0.45) DAOALDH1A1LMNAPOLBMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128450-A1 NLRX1 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-04-27 US disclosed
US-10328065-B2 Pharmaceutical combination comprising the PI3K inhibitor alpelisib and the B-RAF inhibitor dabrafenib; the use of such combination in the treatment or prevention of cancer NOVARTIS AG (CH) 2019-06-25 US disclosed
US-10328065-B2 Pharmaceutical combination comprising the PI3K inhibitor alpelisib and the B-RAF inhibitor dabrafenib; the use of such combination in the treatment or prevention of cancer NOVARTIS AG (CH) 2019-06-25 US disclosed
US-10328066-B2 Pharmaceutical combination comprising the PI3K inhibitor alpelisib and the CDK4/6 inhibitor ribociclib, and the use thereof in the treatment/prevention of cancer NOVARTIS AG (CH) 2019-06-25 US disclosed
US-10328066-B2 Pharmaceutical combination comprising the PI3K inhibitor alpelisib and the CDK4/6 inhibitor ribociclib, and the use thereof in the treatment/prevention of cancer NOVARTIS AG (CH) 2019-06-25 US disclosed
US-20180318275-A1 COMBINATION THERAPY USING PI3K INHIBITOR AND MDM2 INHIBITOR NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-11-08 US disclosed
US-20180256557-A1 PHARMACEUTICAL COMBINATION COMPRISING (A) THE ALPHA-ISOFORM SPECIFIC PI3K INHIBITOR ALPELISIB (BYL719) AND (B) AN AKT INHIBITOR, PREFERABLY MK-2206, AFURESERTIB OR UPROSERTIB, AND THE USE THEREOF IN THE TREATMENT/PREVENTION OF CANCER NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-09-13 US disclosed
US-20180243280-A1 A PHARMACEUTICAL COMBINATION COMPRISING THE PI3K INHIBITOR ALPELISIB AND THE CDK4/6 INHIBITOR RIBOCICLIB, AND THE USE THEREOF IN THE TREATMENT/PREVENTION OF CANCER NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-08-30 US disclosed
US-20180243279-A1 PHARMACEUTICAL COMBINATION COMPRISING THE PI3K INHIBITOR ALPELISIB AND THE B-RAF INHIBITOR DABRAFENIB; THE USE OF SUCH COMBINATION IN THE TREATMENT OR PREVENTION OF CANCER NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-08-30 US disclosed
WO-2017037573-A1 PHARMACEUTICAL COMBINATION COMPRISING THE PI3K INHIBITOR ALPELISIB AND THE B-RAF INHIBITOR DABRAFENIB; THE USE OF SUCH COMBINATION IN THE TREATMENT OR PREVENTION OF CANCER NOVARTIS AG (CH) 2017-03-09 WO disclosed
WO-2012016970-A1 A CRYSTALLINE FORM OF (S)-PYRROLIDINE-1,2-DICARBOXYLIC ACID 2-AMIDE 1-(4 -METHYL-5-[2-(2,2,2-TRIFLUORO-1,1-DIMETHYL-ETHYL)-PYRIDIN-4-YL]-THIAZOL-2-YL)-AMIDE AND ITS USE AS PI3K INHIBITOR NOVARTIS AG (CH) 2012-02-09 WO disclosed
WO-2012016970-A1 A CRYSTALLINE FORM OF (S)-PYRROLIDINE-1,2-DICARBOXYLIC ACID 2-AMIDE 1-(4 -METHYL-5-[2-(2,2,2-TRIFLUORO-1,1-DIMETHYL-ETHYL)-PYRIDIN-4-YL]-THIAZOL-2-YL)-AMIDE AND ITS USE AS PI3K INHIBITOR NOVARTIS AG (CH) 2012-02-09 WO disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
EP-2240475-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS Novartis AG (CH) 2010-10-20 EP disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 US disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 US disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 US disclosed
WO-2010029082-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 WO disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, PIK3CA, RICTOR DAO 4009/4885GPR84 2205/4885ALDH1A1 4645/4885
US-20180243279-A1 PHARMACEUTICAL COMBINATION COMPRISING THE PI3K INHIBITOR ALPELISIB AND THE B-RAF INHIBITOR DABRAFENIB; THE USE OF SUCH COMBINATION IN THE TREATMENT OR PREVENTION OF CANCER BRAF, RAF1, PIK3CA DAO 4145/4885GPR84 4804/4885ALDH1A1 2803/4885
US-20180243280-A1 A PHARMACEUTICAL COMBINATION COMPRISING THE PI3K INHIBITOR ALPELISIB AND THE CDK4/6 INHIBITOR RIBOCICLIB, AND THE USE THEREOF IN THE TREATMENT/PREVENTION OF CANCER CDK4, CDK3, CDK6 DAO 4785/4885GPR84 4521/4885ALDH1A1 3287/4885
US-10328066-B2 Pharmaceutical combination comprising the PI3K inhibitor alpelisib and the CDK4/6 inhibitor ribociclib, and the use thereof in the treatment/prevention of cancer CDK4, CDK6, CDK9 DAO 4656/4885GPR84 4626/4885ALDH1A1 3501/4885
US-20100105711-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD DAO 1515/4885GPR84 3554/4885ALDH1A1 1908/4885
US-20230128450-A1 NLRX1 LIGANDS NLRP3, NLRP1, NOD1 DAO 1316/4885GPR84 37/4885ALDH1A1 4043/4885
US-20180318275-A1 COMBINATION THERAPY USING PI3K INHIBITOR AND MDM2 INHIBITOR TP53, MDM2, BCL2 DAO 4462/4885GPR84 4148/4885ALDH1A1 3047/4885
US-20180256557-A1 PHARMACEUTICAL COMBINATION COMPRISING (A) THE ALPHA-ISOFORM SPECIFIC PI3K INHIBITOR ALPELISIB (BYL719) AND (B) AN AKT INHIBITOR, PREFERABLY MK-2206, AFURESERTIB OR UPROSERTIB, AND THE USE THEREOF IN THE TREATMENT/PREVENTION OF CANCER PIK3CA, PIK3R5, PIK3R2 DAO 4458/4885GPR84 4642/4885ALDH1A1 3869/4885
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD DAO 1545/4885GPR84 3481/4885ALDH1A1 1680/4885
US-10328065-B2 Pharmaceutical combination comprising the PI3K inhibitor alpelisib and the B-RAF inhibitor dabrafenib; the use of such combination in the treatment or prevention of cancer BRAF, RAF1, PIK3CA DAO 4145/4885GPR84 4804/4885ALDH1A1 2803/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.