SCHEMBL910089

SCHEMBL910089

Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCN(C(=O)CCl)CC3)n2)cn1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.71
MTOR P42345 13/20 0.71
PIK3R1 P27986 6/20 0.71
PARP1 P09874 3/20 0.58
PIK3CG P48736 4/20 0.47
PIK3CD O00329 1/20 0.46

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
SCHEMBL909555 0.88 PIK3CA (0.69) PIK3CAMTORPIK3R1PARP1PIK3CG
SCHEMBL910047 0.85 PIK3CA (0.49) PIK3CAMTORPIK3R1PARP1PIK3CG
SCHEMBL1309506 0.84 PIK3CA (1.00) PIK3CAMTORPIK3R1PARP1PIK3CG
SCHEMBL29183859 0.84 PIK3CA (0.62) PIK3CAMTORPIK3R1PARP1PIK3CG
SCHEMBL29183814 0.84 PIK3CA (0.62) PIK3CAMTORPIK3R1PARP1PIK3CG
SCHEMBL31454165 0.83 PIK3CA (0.61) PIK3CAMTORPIK3R1PARP1PIK3CG
SCHEMBL29183905 0.83 PIK3CA (0.61) PIK3CAMTORPIK3R1PARP1PIK3CG
SCHEMBL29183976 0.81 PIK3CA (0.59) PIK3CAMTORPIK3R1PARP1PIK3CG
SCHEMBL1309888 0.81 MTOR (0.72) PIK3CAMTORPIK3R1PARP1PIK3CG
SCHEMBL29183837 0.81 PIK3CA (0.67) PIK3CAMTORPIK3R1PARP1PIK3CG

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
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 PIK3CA 1/4885MTOR 88/4885PIK3R1 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.