SCHEMBL909954

SCHEMBL909954

CN(c1nc(N2CCOCC2)nc(-n2c(C(F)F)nc3c(OCCCO)cccc32)n1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.66
PIK3CD O00329 17/20 0.66
PIK3R1 P27986 17/20 0.66
PIK3CA P42336 17/20 0.66

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
SCHEMBL6520451 0.95 PIK3CB (0.70) PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL2815848 0.91 PIK3CA (0.74) PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL477216 0.90 PIK3CB (0.77) PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL6524674 0.89 PIK3CA (0.63) PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL909771 0.88 PIK3CB (0.68) PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL909962 0.88 PIK3CD (0.61) PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL910038 0.87 PIK3CB (0.70) PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL477300 0.87 PIK3CA (0.70) PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL2811341 0.86 PIK3CB (0.78) PIK3CBPIK3CDPIK3R1PIK3CA
SCHEMBL908463 0.84 PIK3CA (0.74) PIK3CBPIK3CDPIK3R1PIK3CA

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-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 (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 3/4885PIK3R1 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.