SCHEMBL855845

SCHEMBL855845

Cc1ncnc(N2CCOc3ccc(B(O)O)cc3C2)c1Cc1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.34
KCNQ2 O43526 1/20 0.32
ELOVL1 Q9BW60 1/20 0.32
KIT P10721 1/20 0.31
GPR142 Q7Z601 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
RPS6KB1 P23443 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ENPP2 Q13822 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
SCHEMBL856374 0.86 LMNA (0.39) RIPK1KCNQ2ELOVL1KITDRD2
SCHEMBL856395 0.84 GPR142 (0.34) RIPK1ELOVL1KITGPR142DRD2
SCHEMBL856829 0.82 GPR142 (0.41) RIPK1GPR142
SCHEMBL856184 0.82 PIK3CA (0.38) RIPK1KITGPR142RPS6KB1
SCHEMBL3806052 0.82 PDE10A (0.40) KITGPR142
SCHEMBL858637 0.81 GPR142 (0.41) RIPK1GPR142
SCHEMBL857097 0.81 GPR142 (0.41) RIPK1GPR142
SCHEMBL3802990 0.81 PRKDC (0.44) RIPK1KITGPR142RPS6KB1
SCHEMBL858075 0.81 LPL (0.33) RIPK1SMN1; SMN2
SCHEMBL3806421 0.81 GAK (0.42) KITGPR142SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA RIPK1 1300/4885KCNQ2 496/4885ELOVL1 1373/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA RIPK1 1332/4885KCNQ2 623/4885ELOVL1 1390/4885

“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.