SCHEMBL910322

SCHEMBL910322

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

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.76
PIK3R1 P27986 18/20 0.76
PIK3CA P42336 18/20 0.76
PIK3CB P42338 15/20 0.71

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
SCHEMBL477307 0.93 PIK3CD (0.82) PIK3CDPIK3R1PIK3CAPIK3CB
Hydrochloric Acid SCHEMBL477305 0.93 PIK3CD (0.81) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL12790095 0.93 PIK3CD (0.70) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL909262 0.91 PIK3CD (0.85) PIK3CDPIK3R1PIK3CAPIK3CB
Hydrochloric Acid SCHEMBL6522217 0.90 PIK3CD (0.84) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL6518590 0.89 PIK3CD (0.72) PIK3CDPIK3R1PIK3CAPIK3CB
Hydrochloric Acid SCHEMBL6524850 0.88 PIK3CD (0.71) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL910301 0.88 PIK3CD (0.75) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL6522577 0.87 PIK3CB (0.78) PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL2814365 0.86 PIK3CD (1.00) 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 5 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
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
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 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.