SCHEMBL477724

SCHEMBL477724

COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCCC2N(C(=O)O)C(C)(C)C)n1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.66
PIK3CB P42338 13/20 0.66
PIK3CD O00329 19/20 0.64
PIK3R1 P27986 19/20 0.64

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
SCHEMBL908851 0.98 PIK3CA (0.65) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL6517245 0.90 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL6519651 0.88 PIK3CA (0.68) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL1044485 0.88 PIK3CA (0.71) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL2810713 0.85 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL933623 0.84 PIK3CA (0.65) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL2812142 0.84 PIK3CA (0.68) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL909195 0.83 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL2815274 0.83 PIK3CA (0.67) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL2809893 0.82 PIK3CA (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20100249099-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PAICS, CCNI, TYMS PIK3CA 99/4885PIK3CB 172/4885PIK3CD 499/4885

“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.