SCHEMBL4469263

SCHEMBL4469263

NNc1nccc(-c2ccc(Cl)cc2)c1-c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDR P35968 2/20 0.42
GCGR P47871 5/20 0.40
MAPK14 Q16539 5/20 0.40
AKT1 P31749 2/20 0.37
SRC P12931 1/20 0.36
BRAF P15056 1/20 0.36
LRRK2 Q5S007 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4800478 0.79 MAPT (0.40) SMN1; SMN2KDM4ELMNAMAPTRAB9A
SCHEMBL4478884 0.79 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ELMNAMAPTRAB9A
SCHEMBL9838637 0.77 LRRK2 (0.42) MAPTALDH1A1TDP1KDRLRRK2
SCHEMBL30582967 0.77 LRRK2 (0.42) MAPTALDH1A1TDP1KDRLRRK2
SCHEMBL4484227 0.76 KDM4E (0.47) SMN1; SMN2KDM4ELMNAMAPTHTT
SCHEMBL4049604 0.70 KDM4E (0.41) SMN1; SMN2KDM4ELMNAMAPTRAB9A
SCHEMBL11397542 0.68 KDM4E (0.52) SMN1; SMN2KDM4ELMNAMAPTHTT
SCHEMBL6101443 0.68 ADORA1 (0.48) SMN1; SMN2MAPTRAB9ANPC1KDR
SCHEMBL6101291 0.68 ADORA1 (0.48) SMN1; SMN2MAPTRAB9ANPC1KDR
SCHEMBL196861 0.68 GCGR (0.67) SMN1; SMN2KDM4ELMNAMAPTRAB9A

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 SMN1; SMN2 3449/4885KDM4E 3120/4885LMNA 4035/4885

“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.