SCHEMBL14829682

SCHEMBL14829682

Cc1cnc2ccc(C(=O)c3c(F)ccc(OCc4cccc(F)c4)c3Cl)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.42
ERBB2 P04626 3/20 0.42
MAOB P27338 4/20 0.41
MRGPRX4 Q96LA9 5/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
NR4A2 P43354 1/20 0.40
PARP10 Q53GL7 1/20 0.39

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
SCHEMBL14829662 0.94 MRGPRX4 (0.44) MAOBMRGPRX4
SCHEMBL14833307 0.92 PTGER1 (0.41) MRGPRX4
SCHEMBL14829619 0.91 MAOB (0.43) EGFRERBB2MAOBMRGPRX4NR4A2
SCHEMBL14830144 0.89 MAOB (0.40) EGFRERBB2MAOBMRGPRX4KDM4E
SCHEMBL14833206 0.87 EGFR (0.37) EGFRERBB2MAOBMRGPRX4KDM4E
SCHEMBL14829841 0.87 EGFR (0.41) EGFRERBB2MAOBMRGPRX4NR4A2
SCHEMBL14829632 0.87 MAOB (0.46) EGFRERBB2MAOBMRGPRX4KDM4E
SCHEMBL14829691 0.86 EGFR (0.39) EGFRERBB2MAOBMRGPRX4KDM4E
SCHEMBL14829849 0.86 MRGPRX4 (0.44) MAOBMRGPRX4
SCHEMBL14829792 0.86 MRGPRX4 (0.39) EGFRERBB2MAOBMRGPRX4NR4A2

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-9249111-B2 Substituted quinoxalines as B-RAF kinase inhibitors NEUPHARMA, INC. (US) 2016-02-02 US claimed
US-20140343068-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2014-11-20 US claimed
WO-2013049701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-04-04 WO claimed
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS NEUPHARMA, INC. 2017-02-23 US disclosed
US-9249111-B2 Substituted quinoxalines as B-RAF kinase inhibitors NEUPHARMA, INC. (US) 2016-02-02 US disclosed
US-20140343068-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2014-11-20 US disclosed
WO-2013049701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2013-04-04 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-20140343068-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, NRAS, RAF1 EGFR 527/4885ERBB2 173/4885MAOB 183/4885
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF EGFR 412/4885ERBB2 93/4885MAOB 815/4885

“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.