SCHEMBL7876522

SCHEMBL7876522

COC(=O)Nc1nc2ncc(-c3ccc4c(c3)CN(C(=O)N3CCC(C(C)(F)F)CC3)CCO4)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.43
MTOR P42345 1/20 0.42
CREBBP Q92793 3/20 0.38
GPR142 Q7Z601 6/20 0.37

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
SCHEMBL6126622 0.93 PIK3CA (0.44) PIK3CAMTORCREBBPGPR142
SCHEMBL13174059 0.91 PIK3CA (0.43) PIK3CAMTORCREBBPGPR142
SCHEMBL13174015 0.90 PIK3CA (0.41) PIK3CAMTORCREBBPGPR142
SCHEMBL7876524 0.89 PIK3CA (0.41) PIK3CAMTORCREBBPGPR142
SCHEMBL13174104 0.89 PIK3CA (0.42) PIK3CAMTORCREBBPGPR142
SCHEMBL9612748 0.88 KDR (0.33) PIK3CAMTORCREBBP
SCHEMBL6126715 0.87 PIK3CA (0.46) PIK3CAMTORCREBBP
SCHEMBL859228 0.85 PIK3CA (0.44) PIK3CAMTORCREBBPGPR142
SCHEMBL13173921 0.84 PIK3CA (0.41) PIK3CAMTORCREBBPGPR142
SCHEMBL14953391 0.84 PIK3CA (0.43) PIK3CAMTORCREBBP

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-06 US disclosed
US-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-06 US disclosed
US-8637499-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-01-28 US disclosed
US-8637499-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-01-28 US disclosed
US-20120258953-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2012-10-11 US disclosed
US-20120258953-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2012-10-11 US disclosed
WO-2010138487-A1 BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2010-12-02 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 (2 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 13/4885MTOR 10/4885CREBBP 230/4885
US-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885MTOR 1/4885CREBBP 235/4885

“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.