SCHEMBL6522682

SCHEMBL6522682

COc1cccc2c1nc(C(F)F)n2-c1nc(SC2CCN(C(=O)CCl)CC2)nc(N2CCOCC2)n1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.65
PIK3CB P42338 6/20 0.65
PIK3CG P48736 1/20 0.60
PIK3CD O00329 8/20 0.60
PIK3R1 P27986 8/20 0.60

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
SCHEMBL909004 0.93 PIK3CB (0.67) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL6521754 0.89 PIK3CB (0.64) PIK3CAPIK3CBPIK3CGPIK3CDPIK3R1
SCHEMBL909178 0.89 PIK3CA (0.76) PIK3CAPIK3CBPIK3CGPIK3CDPIK3R1
SCHEMBL909221 0.89 PIK3CA (0.74) PIK3CAPIK3CBPIK3CGPIK3CDPIK3R1
SCHEMBL909266 0.87 PIK3CA (0.74) PIK3CAPIK3CBPIK3CGPIK3CDPIK3R1
SCHEMBL909618 0.87 PIK3CA (0.75) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL909204 0.86 PIK3CA (0.75) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL6519581 0.85 PIK3CB (0.65) PIK3CAPIK3CBPIK3CGPIK3CDPIK3R1
SCHEMBL13673911 0.84 PIK3CA (0.73) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL13673714 0.83 PIK3CA (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2011-03-03 US claimed
US-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2011-03-03 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-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY PIK3CA, PIK3R5, PIK3CD PIK3CA 1/4885PIK3CB 5/4885PIK3CG 4/4885

“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.