SCHEMBL14830236

SCHEMBL14830236

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
MRGPRX4 Q96LA9 4/20 0.46
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
NR4A2 P43354 1/20 0.42
EGFR P00533 8/20 0.42
ERBB2 P04626 4/20 0.42
PARP10 Q53GL7 1/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CISD1 Q9NZ45 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
SCHEMBL14829918 0.91 MAOB (0.49) MAOBMRGPRX4KDM4EGAANR4A2
SCHEMBL14829599 0.90 MRGPRX4 (0.47) MAOBMRGPRX4KDM4EGAANR4A2
SCHEMBL14829795 0.90 MRGPRX4 (0.52) MAOBMRGPRX4NR4A2EGFRERBB2
SCHEMBL14829632 0.90 MAOB (0.46) MAOBMRGPRX4KDM4EGAANR4A2
SCHEMBL14829512 0.89 MCL1 (0.43) MRGPRX4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL14830130 0.86 MAOB (0.47) MAOBMRGPRX4KDM4EGAANR4A2
SCHEMBL14829669 0.85 MAOB (0.46) MAOBMRGPRX4KDM4EGAANR4A2
SCHEMBL14829685 0.84 MAOB (0.48) MAOBMRGPRX4NR4A2EGFRERBB2
SCHEMBL14829678 0.83 MRGPRX4 (0.48) MAOBMRGPRX4NR4A2
SCHEMBL14829500 0.83 MAOB (0.48) MAOBMRGPRX4NR4A2PARP10

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 2329/4885KDM4E 1865/4885
US-20170050938-A1 SUBSTITUTED QUINOXALINES AS B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAOB 815/4885MRGPRX4 2298/4885KDM4E 1448/4885

“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.