SCHEMBL860951

SCHEMBL860951

NC(=O)c1[c]c(Cl)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
IKBKB O14920 1/20 0.39
LCK P06239 1/20 0.39
MAP2K3 P46734 1/20 0.39
MAP2K6 P52564 1/20 0.39
BTK Q06187 1/20 0.39
MAP3K19 Q56UN5 1/20 0.39
NEK10 Q6ZWH5 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
DYRK1A Q13627 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SCN9A Q15858 1/20 0.38
CLK1 P49759 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38

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
SCHEMBL940168 0.72 MAOA (0.52) MAOAMAOBKMT2AKDM4E
SCHEMBL28096085 0.69 SCN9A (0.52) GRM2MAOAMAOBNCOA1NCOA3
SCHEMBL30148539 0.69 HSD17B10 (0.52) GRM2MAOAMAOBNCOA1NCOA3
SCHEMBL61597 0.69 HSD17B10 (0.52) GRM2MAOAMAOBNCOA1NCOA3
SCHEMBL11620950 0.68 MAPT (0.41) GRM2NCOA1NCOA3IKBKBLCK
SCHEMBL6457986 0.68 KDM4E (0.65) NCOA1NCOA3KMT2AKDM4E
SCHEMBL2708959 0.68 GRM2 (0.63) GRM2
SCHEMBL5777774 0.67 IKBKB (0.46) IKBKBLCKMAP2K3MAP2K6BTK
SCHEMBL7673424 0.67 LCK (0.46) GRM2MAOAMAOBNCOA1NCOA3
SCHEMBL28279288 0.66 MAP2K3 (0.53) GRM2MAOANCOA1NCOA3IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US claimed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP claimed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US claimed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP claimed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US claimed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 WO claimed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
EP-1730143-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2006-12-13 EP disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
WO-2005094531-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-10-13 WO disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 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-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 GRM2 534/4885MAOA 3504/4885MAOB 4119/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 GRM2 534/4885MAOA 3504/4885MAOB 4119/4885

“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.