SCHEMBL14829632

SCHEMBL14829632

O=C(c1ccc2nccnc2c1)c1c(F)ccc(OCc2cccc(F)c2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
MRGPRX4 Q96LA9 5/20 0.45
NR4A2 P43354 2/20 0.44
PARP10 Q53GL7 1/20 0.43
EGFR P00533 5/20 0.41
ERBB2 P04626 5/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ERBB4 Q15303 1/20 0.40
PTPN7 P35236 1/20 0.40
PTPN12 Q05209 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40

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
SCHEMBL14829678 0.93 MRGPRX4 (0.48) MAOBMRGPRX4NR4A2NPC1RAB9A
SCHEMBL14829599 0.92 MRGPRX4 (0.47) MAOBMRGPRX4NR4A2PARP10EGFR
SCHEMBL14829500 0.91 MAOB (0.48) MAOBMRGPRX4NR4A2PARP10NPC1
SCHEMBL14829711 0.91 PTGER1 (0.45) MRGPRX4NPC1RAB9A
SCHEMBL14830236 0.90 MAOB (0.47) MAOBMRGPRX4NR4A2PARP10EGFR
SCHEMBL14829709 0.88 MAOB (0.47) MAOBMRGPRX4NR4A2
SCHEMBL14829685 0.88 MAOB (0.48) MAOBMRGPRX4NR4A2PARP10EGFR
SCHEMBL14829682 0.87 EGFR (0.42) MAOBMRGPRX4NR4A2PARP10EGFR
SCHEMBL14829669 0.87 MAOB (0.46) MAOBMRGPRX4NR4A2PARP10EGFR
SCHEMBL14829543 0.85 MRGPRX4 (0.49) MAOBMRGPRX4NR4A2

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