SCHEMBL6518535

SCHEMBL6518535

O=C(CCl)N1CCC(Oc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.65
PIK3CD O00329 15/20 0.65
PIK3CA P42336 10/20 0.65
PIK3CG P48736 8/20 0.65
PIK3R1 P27986 3/20 0.61
PIK3C2B O00750 1/20 0.61
MTOR P42345 1/20 0.61

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
SCHEMBL6522963 0.88 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL909306 0.88 PIK3CD (0.82) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL909854 0.87 PIK3CB (0.84) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL12790083 0.87 PIK3CA (0.61) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL909266 0.86 PIK3CA (0.74) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL15029635 0.86 PIK3CB (0.76) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL6527547 0.85 PIK3CB (0.85) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL6519581 0.85 PIK3CB (0.65) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL6526194 0.85 PIK3CB (0.68) PIK3CBPIK3CDPIK3CAPIK3R1
SCHEMBL2441957 0.84 PIK3CB (0.67) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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 PIK3CB 5/4885PIK3CD 3/4885PIK3CA 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.