SCHEMBL571452

SCHEMBL571452

Cc1nc(NC(=O)n2ccnc2)sc1-c1ccnc(C(C)(C)C)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.69
PIK3CD O00329 7/20 0.69
PIK3CB P42338 6/20 0.69
PIK3CG P48736 6/20 0.69
GAK O14976 1/20 0.50
PRKACG P22612 1/20 0.50
PIK3R1 P27986 1/20 0.50
MTOR P42345 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
HDAC6 Q9UBN7 9/20 0.43
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL30227352 0.91 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL15803547 0.91 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL24023242 0.90 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL24023232 0.87 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL28970637 0.86 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL1889405 0.86 PIK3CA (0.50) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL24023246 0.84 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL13469237 0.84 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL1885511 0.84 PIK3CD (0.47) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL571448 0.82 PIK3CG (0.71) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2017037578-A2 COMBINATION THERAPY NOVARTIS AG (CH) 2017-03-09 WO disclosed
WO-2017037575-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 AG (CH) 2017-03-09 WO 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-2017037586-A1 COMBINATION THERAPY USING PI3K INHBITOR AND MDM2 INHIBITOR NOVARTIS AG (CH) 2017-03-09 WO disclosed
EP-2331537-B1 1-((5-HETEROARYLTHIAZOL-2-YL)AMINOCARBONYL)PYRROLIDINE-2-CARBOXAMIDE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS USEFUL IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2015-10-28 EP disclosed
US-9006270-B2 Polymorphs 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 NOVARTIS AG (CH) 2015-04-14 US disclosed
US-8980259-B2 Combination therapy NOVARTIS AG (CH) 2015-03-17 US disclosed
US-8980259-B2 Combination therapy NOVARTIS AG (CH) 2015-03-17 US disclosed
US-20140023661-A1 COMBINATION THERAPY AMGEN, INC. (US) 2014-01-23 US disclosed
US-20140023661-A1 COMBINATION THERAPY AMGEN, INC. (US) 2014-01-23 US disclosed
US-8476268-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
WO-2012175522-A1 POLYMORPHS 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 NOVARTIS AG (CH) 2012-12-27 WO disclosed
US-8227462-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2012-07-24 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
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

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

For each of this compound's patents that has machine-readable text (4 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-20140023661-A1 COMBINATION THERAPY IGF1R, PIK3CA, ERBB2 PIK3CA 2/4885PIK3CD 5/4885PIK3CB 15/4885
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 PIK3CA 5/4885PIK3CD 15/4885PIK3CB 18/4885
US-20100105711-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CD 3/4885PIK3CB 6/4885
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 PIK3CA 3/4885PIK3CD 12/4885PIK3CB 17/4885

“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.