SCHEMBL908902

SCHEMBL908902

COc1cccc2c1nc(C(F)F)n2-c1cc(N2CCOCC2)nc(SC)n1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 5/20 0.80
PIK3CA P42336 17/20 0.69
PIK3CD O00329 6/20 0.69
PIK3R1 P27986 6/20 0.69
PIK3CG P48736 2/20 0.59

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
SCHEMBL909670 0.91 PIK3CB (0.64) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15029769 0.90 PIK3CB (0.68) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL3568141 0.88 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL908303 0.87 PIK3CB (0.61) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15029569 0.87 PIK3CB (0.60) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15029303 0.85 PIK3CB (0.77) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL910025 0.85 PIK3CB (0.91) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL6518609 0.85 PIK3CB (0.91) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL909563 0.85 PIK3CA (0.77) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL909630 0.84 PIK3CB (0.56) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed
US-20130150364-A1 HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-13 US disclosed
US-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2011-03-03 US disclosed
EP-2276750-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2011-01-26 EP disclosed
WO-2009120094-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-10-01 WO 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 (2 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 5/4885PIK3CA 1/4885PIK3CD 3/4885
US-20130150364-A1 HETEROCYCLIC COMPOUND IL2, NFATC1, ICOS PIK3CB 16/4885PIK3CA 28/4885PIK3CD 6/4885

“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.