SCHEMBL4487962

SCHEMBL4487962

O=c1[nH]nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)ccn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 2/20 0.44
ALK Q9UM73 2/20 0.44
DYRK1B Q9Y463 2/20 0.44
KDR P35968 2/20 0.44
CHEK1 O14757 1/20 0.44
DAPK3 O43293 1/20 0.44
ABL1 P00519 1/20 0.44
PRKACA P17612 1/20 0.44
LIMK1 P53667 1/20 0.44
ROCK1 Q13464 1/20 0.44
RET P07949 1/20 0.44
MET P08581 1/20 0.44
GRK5 P34947 1/20 0.44
CDK8 P49336 1/20 0.44
RPS6KA3 P51812 1/20 0.44
MST1R Q04912 1/20 0.44
TYRO3 Q06418 1/20 0.44
DYRK1A Q13627 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44

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
SCHEMBL4474749 1.00 LTK (0.44) LTKALKDYRK1BKDRCHEK1
SCHEMBL4474332 0.93 LTK (0.49) LTKALKDYRK1BKDRCHEK1
SCHEMBL4485857 0.79 LTK (0.48) LTKALKDYRK1BKDRCHEK1
SCHEMBL4798689 0.79 RAB9A (0.50) KDRMAPK14MAPK11MAPK13MAPK12
SCHEMBL3553766 0.73 NOTUM (0.44) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL3551392 0.73 NOTUM (0.44) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL3560568 0.73 CNR1 (0.47) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL3552541 0.73 CNR1 (0.47) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL6101192 0.71 MAPK14 (0.40) KDRMAPK14MAPK11MAPK13MAPK12
SCHEMBL6101966 0.71 MAPK14 (0.40) KDRMAPK14MAPK11MAPK13MAPK12

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-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
EP-1891068-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-02-27 EP disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
WO-2006138695-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 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-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists CNR1, CNR2, TRPV1 LTK 672/4885ALK 161/4885DYRK1B 483/4885

“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.