SCHEMBL9909155

SCHEMBL9909155

CCOc1cc(C)c2nnc(NC)n2n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
F2R P25116 1/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
HTT P42858 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL10264671 0.82 F2R (0.36) F2R
SCHEMBL1205158 0.79 NPC1 (0.37) F2RHTT
SCHEMBL13746580 0.73 PIK3CG (0.35)
SCHEMBL9909131 0.73 AKT1 (0.33) F2RPDE1APDE1BPDE1CADORA3
SCHEMBL10264445 0.70 BRD4 (0.36) ADORA2ABRD4
SCHEMBL16502253 0.68 KDM4E (0.57) F2RHTT
SCHEMBL9909148 0.66 MALT1 (0.33) BRD4
SCHEMBL1205558 0.64 AKT1 (0.39) HTTADORA3
SCHEMBL1190578 0.63 CSNK1D (0.35) F2RHTT
SCHEMBL8815157 0.63 CHEK1 (0.34) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240486-B1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, THEIR MANUFACTURE AND THEIR APPLICATION AS MEDICINE SANOFI SA (FR) 2015-09-09 EP disclosed
US-9079906-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2015-07-14 US disclosed
US-8853206-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2014-10-07 US disclosed
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI (FR) 2012-08-16 US disclosed
US-8198272-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2012-01-12 US disclosed
US-8076336-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 US disclosed
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 US disclosed
WO-2009097970-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 WO disclosed
WO-2009097971-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 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-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 CACNA2D1 1726/4885CACNA2D2 2633/4885F2R 1/4885
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 CACNA2D1 1756/4885CACNA2D2 3040/4885F2R 1/4885
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 CACNA2D1 1821/4885CACNA2D2 3047/4885F2R 1/4885
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 CACNA2D1 1726/4885CACNA2D2 2633/4885F2R 1/4885

“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.