SCHEMBL478237

SCHEMBL478237

COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.76
PIK3CD O00329 12/20 0.76
PIK3R1 P27986 12/20 0.76
PIK3CB P42338 10/20 0.76
MTOR P42345 4/20 0.56
PIK3CG P48736 4/20 0.56
ATR Q13535 2/20 0.56
AURKB Q96GD4 1/20 0.56

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
SCHEMBL478238 0.89 PIK3CA (0.60) PIK3CAPIK3CDPIK3R1PIK3CBMTOR
SCHEMBL477434 0.89 PIK3CA (0.75) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL1680281 0.88 PIK3CA (0.84) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2810461 0.87 PIK3CA (0.80) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2811275 0.86 PIK3R1 (1.00) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2811151 0.86 PIK3CA (0.75) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL2811794 0.85 PIK3CA (0.76) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477981 0.84 PIK3CA (0.87) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL910392 0.83 PIK3CD (0.86) PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL477471 0.82 PIK3CD (0.81) PIK3CAPIK3CDPIK3R1PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411387-B1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY VETDC INC (US) 2015-08-19 EP disclosed
US-9108980-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides and their use in cancer therapy VETDC, INC. (US) 2015-08-18 US disclosed
US-20150038486-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY ELANCO US INC. 2015-02-05 US disclosed
US-8772287-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides and their use in cancer therapy VETDC, INC. (US) 2014-07-08 US disclosed
US-20130289016-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY ELANCO US INC. 2013-10-31 US disclosed
US-8461158-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides and their use in cancer therapy PATHWAY THERAPEUTICS INC. (US) 2013-06-11 US disclosed
EP-2411387-A2 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-02-01 EP disclosed
US-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2011-03-03 US disclosed
WO-2010110685-A2 PYRIMDDINYL AND 1,3,5-TRIAZINYL BENZIMTOAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO disclosed
US-20100249099-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 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 (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-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY PIK3CA, PIK3R5, PIK3CD PIK3CA 1/4885PIK3CD 3/4885PIK3R1 6/4885
US-20100249099-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PAICS, CCNI, TYMS PIK3CA 99/4885PIK3CD 499/4885PIK3R1 1213/4885
US-20150038486-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PAICS, CCNI, TYMS PIK3CA 99/4885PIK3CD 499/4885PIK3R1 1213/4885
US-20130289016-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PAICS, CCNI, TYMS PIK3CA 99/4885PIK3CD 499/4885PIK3R1 1213/4885

“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.