SCHEMBL2175387

SCHEMBL2175387

COc1ccc([N+](=O)[O-])c(Nc2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 12/20 0.44
CSNK1D P48730 1/20 0.42
CSNK1G2 P78368 1/20 0.42
MAPT P10636 4/20 0.41
MAPK1 P28482 3/20 0.41
S1PR4 O95977 2/20 0.41
S1PR1 P21453 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 2/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
JAK2 O60674 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HTT P42858 1/20 0.41
GSR P00390 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOA P21397 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
SCHEMBL9794374 0.85 GAA (0.53) TXNRD1MAPTMAPK1NPSR1RAB9A
SCHEMBL10708935 0.84 MAOA (0.48) TXNRD1MAPTMAPK1S1PR4S1PR1
SCHEMBL10815147 0.84 GSK3B (0.55) TXNRD1MAPTMAPK1S1PR4S1PR1
SCHEMBL9983193 0.82 FGFR4 (0.52) CSNK1DCSNK1G2MAPTMAPK1RAB9A
SCHEMBL27226844 0.81 MEN1 (0.53) TXNRD1MAPTMAPK1RAB9ANPC1
SCHEMBL27227025 0.81 TXNRD1 (0.46) TXNRD1MAPTMAPK1S1PR4S1PR1
SCHEMBL9984352 0.81 HSF1 (0.58) CSNK1DCSNK1G2MAPTMAPK1RAB9A
SCHEMBL7013627 0.80 TXNRD1 (0.48) TXNRD1MAPTMAPK1S1PR4S1PR1
SCHEMBL7876736 0.80 TXNRD1 (0.48) TXNRD1MAPTMAPK1S1PR4S1PR1
SCHEMBL29325261 0.79 TXNRD1 (0.40) TXNRD1MAPTMAPK1S1PR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519522-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2014-09-24 EP disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 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 (1 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-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 TXNRD1 1564/4885CSNK1D 789/4885CSNK1G2 1046/4885

“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.