SCHEMBL1460657

SCHEMBL1460657

CCOc1cnn(-c2ccccc2)c(=O)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.60
MCHR1 Q99705 2/20 0.60
RAB9A P51151 5/20 0.59
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 2/20 0.59
MAPT P10636 2/20 0.59
NPC1 O15118 1/20 0.59
MITF O75030 1/20 0.59
S1PR4 O95977 1/20 0.59
THRB P10828 1/20 0.59
XBP1 P17861 1/20 0.59
S1PR1 P21453 1/20 0.59
PAX8 Q06710 1/20 0.59
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
KDM4E B2RXH2 1/20 0.54
GAA P10253 2/20 0.54
DCTPP1 Q9H773 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL13219341 0.89 RAB9A (0.56) NPBWR1MCHR1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3028307 0.85 RAB9A (0.66) NPBWR1MCHR1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13219373 0.85 NPBWR1 (0.52) NPBWR1MCHR1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4191657 0.84 RAB9A (0.76) NPBWR1MCHR1RAB9AALDH1A1SMN1; SMN2
SCHEMBL16901939 0.81 MAPK14 (0.56) NPBWR1MCHR1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13219415 0.81 RAB9A (0.47) NPBWR1MCHR1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18465483 0.81 ALDH1A1 (0.48) NPBWR1MCHR1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13219464 0.80 HSD11B1 (0.53) NPBWR1MCHR1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1461679 0.80 GAA (0.74) NPBWR1MCHR1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12826270 0.79 NPBWR1 (0.64) NPBWR1MCHR1RAB9AALDH1A1SMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DJABALLAH HAKIM (US) 2013-05-23 US disclosed
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DJABALLAH HAKIM (US) 2013-05-23 US disclosed
US-20120149710-A1 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-06-14 US disclosed
WO-2011028492-A2 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-10 WO disclosed
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 US disclosed
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 US 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 (3 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-20120149710-A1 SORTASE A INHIBITORS STS, ENGASE, SPR NPBWR1 2734/4885MCHR1 1373/4885RAB9A 820/4885
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP NPBWR1 4020/4885MCHR1 4454/4885RAB9A 3655/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP NPBWR1 4020/4885MCHR1 4454/4885RAB9A 3655/4885

“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.