SCHEMBL993561

SCHEMBL993561

COc1cccc2c1nc(C(F)F)n2-c1nc(NCCc2ccncc2)nc(N2CCOCC2)n1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.72
PIK3CB P42338 13/20 0.72
PIK3CD O00329 15/20 0.71
PIK3R1 P27986 15/20 0.71

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
SCHEMBL995047 0.93 PIK3CA (0.77) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL994171 0.92 PIK3CA (0.68) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL947671 0.88 PIK3CA (0.72) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL994139 0.86 PIK3CA (0.71) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL948177 0.85 PIK3CA (0.79) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL947669 0.85 PIK3CB (0.67) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL3563102 0.85 PIK3CB (1.00) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL948311 0.84 PIK3CB (0.76) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL952407 0.84 PIK3CB (0.76) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL951108 0.84 PIK3CB (0.72) PIK3CAPIK3CBPIK3CDPIK3R1

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-3072890-B1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI PHARMA INC (US) 2018-10-17 EP claimed
EP-3072890-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI Pharma, Inc. (US) 2016-09-28 EP claimed
US-8486939-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy PATHWAY THERAPEUTICS INC. (US) 2013-07-16 US claimed
EP-2532659-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy Pathway Therapeutics, Inc. (US) 2012-12-12 EP claimed
US-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 US claimed
EP-3072890-B1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI PHARMA INC (US) 2018-10-17 EP disclosed
EP-3072890-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI Pharma, Inc. (US) 2016-09-28 EP disclosed
US-8486939-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy PATHWAY THERAPEUTICS INC. (US) 2013-07-16 US disclosed
EP-2532659-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy Pathway Therapeutics, Inc. (US) 2012-12-12 EP disclosed
US-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 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 (1 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-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY TYMP, TYMS, CCNI PIK3CA 187/4885PIK3CB 397/4885PIK3CD 756/4885

“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.