SCHEMBL13196201

SCHEMBL13196201

Cc1nc2ccc(-c3ccc4c(c3)CN(C(=O)N3CCC(C#N)C[C@@H]3c3ccc(F)c(F)c3)CCO4)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.52
CREBBP Q92793 2/20 0.36
GPR142 Q7Z601 3/20 0.35
PRKDC P78527 1/20 0.34

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
SCHEMBL12980306 1.00 PIK3CA (0.52) PIK3CACREBBPGPR142PRKDC
SCHEMBL9612556 0.91 PIK3CA (0.42) PIK3CA
SCHEMBL12980329 0.90 PIK3CA (0.54) PIK3CACREBBPGPR142PRKDC
SCHEMBL6127285 0.88 PIK3CA (0.52) PIK3CACREBBPGPR142
SCHEMBL2725196 0.87 PIK3CA (0.56) PIK3CACREBBPGPR142
SCHEMBL2734423 0.85 PIK3CA (0.54) PIK3CACREBBPGPR142PRKDC
SCHEMBL3788584 0.83 PIK3CA (0.60) PIK3CACREBBPGPR142
SCHEMBL7876625 0.83 PIK3CA (0.56) PIK3CACREBBPGPR142PRKDC
SCHEMBL7858457 0.83 PIK3CA (0.56) PIK3CACREBBPGPR142PRKDC
SCHEMBL2726195 0.83 PIK3CA (0.57) PIK3CACREBBPPRKDC

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-20120258953-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2012-10-11 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-20120258953-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture PIK3R1, PIK3R3, PIK3R2 PIK3CA 13/4885CREBBP 230/4885GPR142 2679/4885

“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.