SCHEMBL6523355

SCHEMBL6523355

CN(C)CCCOc1cccc2c1nc(C(F)F)n2-c1nc(OC2CCN(C(=O)OC(C)(C)C)CC2)nc(N2CCOCC2)n1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.70
PIK3R1 P27986 17/20 0.70
PIK3CA P42336 17/20 0.70
PIK3CB P42338 17/20 0.70

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
SCHEMBL909771 0.93 PIK3CB (0.68) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL2811341 0.92 PIK3CB (0.78) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL910301 0.91 PIK3CD (0.75) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL6526177 0.91 PIK3CA (0.57) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL6520451 0.90 PIK3CB (0.70) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL6518590 0.89 PIK3CD (0.72) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477363 0.89 PIK3CA (0.73) PIK3CDPIK3R1PIK3CAPIK3CB
Hydrochloric Acid SCHEMBL6524850 0.89 PIK3CD (0.71) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL477307 0.87 PIK3CD (0.82) PIK3CDPIK3R1PIK3CAPIK3CB
Hydrochloric Acid SCHEMBL477305 0.86 PIK3CD (0.81) PIK3CDPIK3R1PIK3CAPIK3CB

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 1 patent. 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

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 PIK3CD 3/4885PIK3R1 6/4885PIK3CA 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.