SCHEMBL4493868

SCHEMBL4493868

Cc1ccc(-c2ccnc(Cl)c2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.42
LRRK2 Q5S007 1/20 0.40
MEN1 O00255 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
COMT P21964 1/20 0.37
NPC1 O15118 2/20 0.36
NFKB1 P19838 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 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
SCHEMBL7861011 0.79 LRRK2 (0.43) KMT2ALRRK2MEN1L3MBTL1MAPT
SCHEMBL31301310 0.79 MAPT (0.44) L3MBTL1MAPTLMNANPC1RAB9A
SCHEMBL4527106 0.78 COMT (0.36) KMT2APOLBLRRK2MEN1L3MBTL1
SCHEMBL27080475 0.78 LMNA (0.35) MAPTLMNACYP3A4SMN1; SMN2
SCHEMBL4491842 0.77 KDM4E (0.41) KMT2APOLBLRRK2MEN1MAPT
SCHEMBL16936423 0.77 KDM4E (0.54) KMT2ALRRK2MEN1L3MBTL1MAPT
SCHEMBL27652759 0.76 NPC1 (0.54) L3MBTL1MAPTCOMTNPC1NFKB1
SCHEMBL4520576 0.75 DHODH (0.48) KMT2AMEN1LMNASMN1; SMN2
SCHEMBL13156764 0.75 AHR (0.44) KMT2AMEN1L3MBTL1MAPTCYP2C9
SCHEMBL18832310 0.73 CA12 (0.47) POLBL3MBTL1MAPTCYP2C9CYP2C19

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 KMT2A 3271/4885POLB 4033/4885LRRK2 1625/4885

“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.