SCHEMBL910184

SCHEMBL910184

O=C(CCl)N1CCN(c2nc(-c3ccncc3)nc(-c3cccc4[nH]ncc34)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.47
PIK3R1 P27986 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CD O00329 2/20 0.44
PARP1 P09874 1/20 0.43
BRAF P15056 1/20 0.42
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL6526070 0.85 PIK3CA (0.62) PIK3CAPIK3R1MTORPIK3CDPARP1
SCHEMBL909712 0.78 HRH4 (0.48) PIK3CAPIK3R1MTORPIK3CDPARP1
SCHEMBL907946 0.77 PIK3CA (0.46) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL6523142 0.75 PRKCI (0.45) PIK3CAMTORPIK3CDBRAFPIK3CG
SCHEMBL910047 0.74 PIK3CA (0.49) PIK3CAPIK3R1MTORPARP1PIK3CG
SCHEMBL18193255 0.71 PIK3CA (0.76) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL18193504 0.70 PIK3CA (0.65) PIK3CAPIK3R1MTORPIK3CDPARP1
SCHEMBL1497663 0.70 PIK3CA (0.78) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1311544 0.70 PIK3CA (0.60) PIK3CAPIK3R1MTORPIK3CDPARP1
SCHEMBL1309278 0.69 PIK3CA (0.77) PIK3CAPIK3R1MTORPIK3CDPIK3CB

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 4 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
EP-2276750-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2011-01-26 EP claimed
WO-2009120094-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-10-01 WO 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 PIK3CA 1/4885PIK3R1 6/4885MTOR 88/4885

“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.