SCHEMBL15433930

SCHEMBL15433930

COC(=O)Nc1nc2ncc(-c3cc(C)c4c(c3)CN(C(=O)N3CCC(=O)CC3c3ccc(F)cc3)CCO4)cc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.34
KDR P35968 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
PTGS1 P23219 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TEK Q02763 1/20 0.30

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
SCHEMBL9612523 0.94 KDR (0.32) KDRTEK
SCHEMBL9612437 0.90 KDR (0.40) MAPK1KDRADORA3PTGS1RXFP1
SCHEMBL7878446 0.90 GPR142 (0.39) MAPK1
SCHEMBL9612431 0.85 RAF1 (0.39) MAPK1KDRADORA3PTGS1RXFP1
SCHEMBL12979188 0.84 GPR142 (0.40) MAPK1
SCHEMBL9612434 0.84 RAF1 (0.38) MAPK1KDRADORA3PTGS1RXFP1
SCHEMBL13174058 0.84 PIK3CA (0.37)
SCHEMBL9612478 0.82 HCRTR1 (0.32)
SCHEMBL9612432 0.82 KDR (0.41) MAPK1KDRADORA3PTGS1RXFP1
SCHEMBL9612741 0.81 MAPK1 (0.32) MAPK1

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-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 US disclosed
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 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 (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-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA MAPK1 119/4885KDR 2561/4885ADORA3 2879/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA MAPK1 119/4885KDR 2561/4885ADORA3 2879/4885

“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.