SCHEMBL924512

SCHEMBL924512

CC(=O)Nc1nc(C)c(-c2ccnc(Cl)c2)s1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 19/20 0.61
PIK3CD O00329 17/20 0.61
PIK3CA P42336 14/20 0.61
PIK3CB P42338 14/20 0.61
PIK3C3 Q8NEB9 4/20 0.56
PIK3C2A O00443 1/20 0.56
PIK3C2B O00750 1/20 0.56
PI4KA P42356 1/20 0.56
PRKDC P78527 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
PIK3R1 P27986 1/20 0.50

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
SCHEMBL571448 0.82 PIK3CG (0.71) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL1889405 0.81 PIK3CA (0.50) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL10670937 0.81 PIK3CG (0.72) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL925027 0.81 PIK3CG (0.64) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL4516245 0.80 MEN1 (0.70) PIK3CG
SCHEMBL942547 0.80 PIK3CA (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL48907 0.80 PIK3CG (0.62) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL925932 0.80 PIK3CA (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL15803671 0.79 PIK3CA (0.64) PIK3CGPIK3CDPIK3CAPIK3CBPI4KB
SCHEMBL48462 0.79 PIK3CG (0.69) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157091-B1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2015-06-10 EP disclosed
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8404684-B2 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2013-03-26 US disclosed
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG 2011-05-05 US disclosed
US-7868188-B2 5-heteroaryl thiazoles and their use as PI3K inhibitors ASTRAZENECA AB (SE) 2011-01-11 US disclosed
CN-1816549-B Phosphatidylinositol 3-kinase inhibitors NOVARTIS AG 2010-09-29 CN disclosed
EP-1841763-B1 5-HETEROARYL THIAZOLES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2010-06-30 EP disclosed
EP-2157091-A1 Inhibitors of phosphatidylinositol 3-kinase Novartis AG (CH) 2010-02-24 EP disclosed
CN-101648949-A inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG CH 2010-02-17 CN disclosed
EP-1622897-B1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2009-10-14 EP disclosed
US-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors ASTRAZENECA AB (SE) 2008-06-05 US disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US disclosed
CN-1816549-A Phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2006-08-09 CN disclosed
EP-1622897-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096797-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2004-11-11 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-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase PIK3CA, PIP4K2C, PIP4K2B PIK3CG 10/4885PIK3CD 4/4885PIK3CA 1/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885PIK3CD 2/4885PIK3CA 1/4885
US-20080132502-A1 5-Heteroaryl Thiazoles And Their Use As PI3K Inhibitors MTOR, PIK3R5, PIK3CA PIK3CG 16/4885PIK3CD 6/4885PIK3CA 3/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CG 8/4885PIK3CD 2/4885PIK3CA 1/4885

“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.