SCHEMBL14829795

SCHEMBL14829795

Cc1ccc(OCc2cccc(F)c2)c(C)c1C(=O)c1ccc2nccnc2c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.52
MAOB P27338 3/20 0.48
NR4A2 P43354 2/20 0.44
PARP10 Q53GL7 1/20 0.43
HTR6 P50406 2/20 0.42
EGFR P00533 4/20 0.41
ERBB2 P04626 3/20 0.41
SGMS2 Q8NHU3 1/20 0.41
DHODH Q02127 1/20 0.41
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL14829918 0.93 MAOB (0.49) MRGPRX4MAOBNR4A2PARP10EGFR
SCHEMBL14829685 0.92 MAOB (0.48) MRGPRX4MAOBNR4A2PARP10EGFR
SCHEMBL14830130 0.90 MAOB (0.47) MRGPRX4MAOBNR4A2EGFRERBB2
SCHEMBL14830236 0.90 MAOB (0.47) MRGPRX4MAOBNR4A2PARP10EGFR
SCHEMBL14829843 0.88 MRGPRX4 (0.48) MRGPRX4MAOB
SCHEMBL14829579 0.87 MAOB (0.49) MRGPRX4MAOBNR4A2PARP10HTR6
SCHEMBL14829500 0.84 MAOB (0.48) MRGPRX4MAOBNR4A2PARP10SGMS2
SCHEMBL14829901 0.83 MRGPRX4 (0.47) MRGPRX4MAOB
SCHEMBL14829541 0.82 MAOB (0.48) MRGPRX4MAOBNR4A2PARP10SGMS2
SCHEMBL14829590 0.82 MRGPRX4 (0.47) MRGPRX4

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 2329/4885MAOB 183/4885NR4A2 2560/4885
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF MRGPRX4 2298/4885MAOB 815/4885NR4A2 2615/4885

“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.