SCHEMBL7878884

SCHEMBL7878884

COC(=O)Nc1nc2ccc(-c3ccc4c(c3)CN(C(=O)N3C5CCC3CC(O)(C(F)(F)F)C5)CCO4)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 11/20 0.48
▸ CREBBP Q92793 1/20 0.38
▸ GPR142 Q7Z601 3/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RAF1 P04049 2/20 0.37
▸ BRAF P15056 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 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
SCHEMBL12979899 0.92 PIK3CA (0.50) PIK3CACREBBPGPR142PIK3CG
SCHEMBL7861811 0.92 PIK3CA (0.45) PIK3CACREBBPGPR142PIK3CGLMNA
SCHEMBL15433927 0.90 PIK3CG (0.41) PIK3CAPIK3CGLMNAPOLBHPGD
SCHEMBL7877202 0.88 PIK3CA (0.51) PIK3CACREBBPGPR142LMNAPOLB
SCHEMBL13173995 0.88 PIK3CA (0.46) PIK3CACREBBPGPR142PIK3CGLMNA
SCHEMBL3790868 0.88 PIK3CA (0.63) PIK3CACREBBP
SCHEMBL7878242 0.84 PIK3CA (0.48) PIK3CACREBBPGPR142PIK3CGLMNA
SCHEMBL14953442 0.84 PIK3CA (0.49) PIK3CACREBBP
SCHEMBL13173994 0.82 PIK3CA (0.48) PIK3CACREBBPGPR142LMNAPOLB
SCHEMBL13173983 0.82 PIK3CA (0.48) PIK3CACREBBPGPR142LMNAPOLB

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 13/4885CREBBP 230/4885GPR142 2679/4885
US-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885CREBBP 235/4885GPR142 1906/4885

“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.

Send feedback