SCHEMBL14830303

SCHEMBL14830303

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
MAOB P27338 5/20 0.40
MAOA P21397 1/20 0.40
MGLL Q99685 1/20 0.39
GRM5 P41594 1/20 0.38
NR4A2 P43354 1/20 0.38
PPIF P30405 1/20 0.38

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
SCHEMBL14829841 0.94 EGFR (0.41) MRGPRX4MAOBNR4A2
SCHEMBL14829658 0.93 MRGPRX4 (0.42) MRGPRX4RXRARXRBRXRGMAOB
SCHEMBL14830158 0.93 XDH (0.41) MRGPRX4
SCHEMBL14829662 0.86 MRGPRX4 (0.44) MRGPRX4RXRARXRBRXRGMAOB
SCHEMBL14829537 0.85 NR4A2 (0.41) MRGPRX4MAOBMAOANR4A2
SCHEMBL14829536 0.85 MRGPRX4 (0.42) MRGPRX4RXRARXRBRXRGMAOB
SCHEMBL14829678 0.84 MRGPRX4 (0.48) MRGPRX4RXRARXRBRXRGMAOB
SCHEMBL14829912 0.84 XDH (0.42) MRGPRX4
SCHEMBL14830496 0.82 HPGD (0.44) MRGPRX4GRM5PPIF
SCHEMBL14829682 0.80 EGFR (0.42) MRGPRX4MAOBNR4A2

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 MRGPRX4 2329/4885RXRA 960/4885RXRB 667/4885
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF MRGPRX4 2298/4885RXRA 2101/4885RXRB 1705/4885

“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.