SCHEMBL3971786

SCHEMBL3971786

O=[N+]([O-])c1cnc(Cl)nc1NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 8/20 0.65
PRKCQ Q04759 5/20 0.57
EGFR P00533 1/20 0.53
SIRT5 Q9NXA8 1/20 0.50
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE5A O76074 1/20 0.49
APP P05067 1/20 0.49

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
SCHEMBL1265338 0.87 PIN1 (0.53) PIN1PRKCQMAPTHTTPOLB
SCHEMBL14841617 0.87 PIN1 (0.62) PIN1PRKCQSIRT5MAPTAPP
SCHEMBL3854087 0.85 PRKCQ (0.54) PIN1PRKCQEGFR
SCHEMBL2274362 0.84 PIN1 (0.58) PIN1PRKCQ
SCHEMBL18757880 0.84 NPC1 (0.62) PIN1PRKCQEGFRMAPTHTT
SCHEMBL1917607 0.83 PIN1 (0.57) PIN1PRKCQKDM4E
SCHEMBL5416389 0.81 STK17A (0.67) PIN1PRKCQSIRT5MAPT
SCHEMBL18319382 0.81 MAPT (0.64) PRKCQEGFRSIRT5MAPTHTT
SCHEMBL1266942 0.81 PRKCQ (0.57) PIN1PRKCQMAPTPOLB
SCHEMBL4384358 0.80 PRKCQ (0.65) PRKCQEGFRSIRT5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US disclosed
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-04-11 US disclosed
WO-2011157397-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-12-22 WO disclosed
EP-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 EP disclosed
EP-2397482-A1 Heteroaryl imidazolone derivatives as jak inhibitors Almirall, S.A. (ES) 2011-12-21 EP disclosed
US-7560458-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2009-07-14 US disclosed
US-20090036471-A1 Triazolopyrimidine Derivatives As Glycogen Synthase Kinase 3 Inhibitors EDGARD EDDY JEAN 2009-02-05 US disclosed
EP-1442024-B1 AMINOBENZAMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3$g(b) INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-03-19 EP disclosed
EP-1658292-B1 TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2007-08-15 EP disclosed
US-20060205721-A1 3-(Phenyl),5-(3-carmoylphenyl)-amino)-3H-V-triazolo(4,5-D)pyrimidine; bipolar disorder, antidepressants; antidiabetic agents; Alzheimer's disease; blood disorders; dementia; parkinson's disease; neurodegenerative diseases; genetic disorders; muscular disorders; antiinflammatory/anticarcinogenic agents PARAGON INTELLECTUAL PROPERTIES, LLC 2006-09-14 US disclosed
EP-1658292-A1 TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-24 EP disclosed
US-20060063789-A1 Aminobenzamide derivatives as glycogen synthase kinase 3 beta inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-23 US disclosed
WO-2005012307-A1 TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO disclosed
EP-1442024-A1 AMINOBENZAMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3$g(b) INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-04 EP disclosed
WO-2003037877-A1 AMINOBENZAMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3β INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-08 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 (4 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-20090036471-A1 Triazolopyrimidine Derivatives As Glycogen Synthase Kinase 3 Inhibitors GSK3B, GSK3A, GYS2 PIN1 1148/4885PRKCQ 242/4885EGFR 1841/4885
US-20060205721-A1 3-(Phenyl),5-(3-carmoylphenyl)-amino)-3H-V-triazolo(4,5-D)pyrimidine; bipolar disorder, antidepressants; antidiabetic agents; Alzheimer's disease; blood disorders; dementia; parkinson's disease; neurodegenerative diseases; genetic disorders; muscular disorders; antiinflammatory/anticarcinogenic agents PSEN1, CHRNA3, CHRNA6 PIN1 2520/4885PRKCQ 3019/4885EGFR 4007/4885
US-20060063789-A1 Aminobenzamide derivatives as glycogen synthase kinase 3 beta inhibitors GSK3B, GSK3A, PHKG1 PIN1 2845/4885PRKCQ 167/4885EGFR 1235/4885
US-20130089512-A1 HETEROARYL IMIDAZOLONE DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 PIN1 1940/4885PRKCQ 347/4885EGFR 286/4885

“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.