SCHEMBL4478884

SCHEMBL4478884

Clc1ccc(-c2ccnc(Cl)c2-c2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
GCGR P47871 7/20 0.46
MAPK14 Q16539 7/20 0.45
KDR P35968 2/20 0.43
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
LSS P48449 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKT1 P31749 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
SRC P12931 1/20 0.38
BRAF P15056 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
SCHEMBL4469263 0.79 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AMAPTNPC1GCGR
SCHEMBL3558118 0.77 GCGR (0.55) SMN1; SMN2RAB9AMAPTGCGRMAPK14
SCHEMBL4805328 0.76 GCGR (0.43) SMN1; SMN2RAB9AMAPTNPC1GCGR
SCHEMBL27647803 0.76 GCGR (0.43) SMN1; SMN2RAB9AMAPTNPC1GCGR
SCHEMBL31301310 0.75 MAPT (0.44) SMN1; SMN2RAB9AMAPTNPC1GCGR
SCHEMBL4840292 0.74 GCGR (0.44) SMN1; SMN2RAB9AMAPTNPC1GCGR
SCHEMBL196861 0.73 GCGR (0.67) SMN1; SMN2RAB9AMAPTGCGRMAPK14
SCHEMBL4470177 0.72 TDP1 (0.41) SMN1; SMN2RAB9AMAPTNPC1GCGR
SCHEMBL3045409 0.71 NOTUM (0.40) SMN1; SMN2MAPTKDM4ELMNAALDH1A1
SCHEMBL14380546 0.70 GCGR (0.48) SMN1; SMN2RAB9AMAPTNPC1GCGR

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 3449/4885RAB9A 1618/4885MAPT 2605/4885

“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.