SCHEMBL571475

SCHEMBL571475

Cc1nc(N)sc1-c1ccnc(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.52
PIK3CA P42336 7/20 0.52
PIK3CD O00329 6/20 0.52
PIK3CB P42338 5/20 0.52
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CDK4 P11802 3/20 0.40
CDK2 P24941 3/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL30476425 1.00 PIK3CG (0.52) PIK3CGPIK3CAPIK3CDPIK3CBMAPT
SCHEMBL30500997 0.86 PIK3CA (0.51) PIK3CGPIK3CAPIK3CDPIK3CBGAK
SCHEMBL15801542 0.86 PIK3CA (0.51) PIK3CGPIK3CAPIK3CDPIK3CBGAK
SCHEMBL23876299 0.85 PIK3CA (0.54) PIK3CGPIK3CAPIK3CDPIK3CBHTT
SCHEMBL1939295 0.83 PIK3CG (0.39) PIK3CGPIK3CAPIK3CDPIK3CBMAPT
SCHEMBL24023241 0.81 PIK3CA (0.47) PIK3CGPIK3CAPIK3CDPIK3CBSMN1; SMN2
SCHEMBL29205069 0.81 PIK3CA (0.38) PIK3CGPIK3CAPIK3CDPIK3CBMAPT
SCHEMBL18616748 0.80 PIK3CA (0.61) PIK3CGPIK3CAPIK3CDPIK3CBMAPT
SCHEMBL3491367 0.80 PIK3CA (0.55) PIK3CGPIK3CAPIK3CDPIK3CBSMN1; SMN2
SCHEMBL24023416 0.79 PIK3CA (0.43) PIK3CGPIK3CAPIK3CDPIK3CBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116987073-A PI3K alpha/HDAC 6 subtype selective dual inhibitor and application thereof 嘉兴学院 2023-11-03 CN disclosed
CN-116239591-A (4R) -sulfonamido-L-prolinamide compound, preparation method, application and pharmaceutical composition thereof 嘉兴学院 2023-06-09 CN 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-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-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-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-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
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-8227462-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2012-07-24 US 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
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 (8 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-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 PIK3CG 16/4885PIK3CA 3/4885PIK3CD 12/4885
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 PIK3CG 42/4885PIK3CA 13/4885PIK3CD 38/4885
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 PIK3CG 20/4885PIK3CA 5/4885PIK3CD 15/4885
US-20100105711-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD PIK3CG 8/4885PIK3CA 2/4885PIK3CD 3/4885
US-20180318275-A1 COMBINATION THERAPY USING PI3K INHIBITOR AND MDM2 INHIBITOR TP53, MDM2, BCL2 PIK3CG 42/4885PIK3CA 24/4885PIK3CD 32/4885
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 PIK3CG 13/4885PIK3CA 1/4885PIK3CD 7/4885
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD PIK3CG 7/4885PIK3CA 2/4885PIK3CD 3/4885
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 PIK3CG 16/4885PIK3CA 3/4885PIK3CD 12/4885

“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.