SCHEMBL4475014

SCHEMBL4475014

N#Cc1ccc(-c2ccnc(Cl)c2Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
LRRK2 Q5S007 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
CYP11B2 P19099 5/20 0.38
CYP19A1 P11511 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
FYN P06241 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
SCHEMBL4470177 0.80 TDP1 (0.41) KDM4EALDH1A1LMNATDP1CCNB2
SCHEMBL23557730 0.78 SLC22A12 (0.39) KDM4EALDH1A1LMNATDP1CCNB2
SCHEMBL4488950 0.76 KDM4E (0.40) KDM4EALDH1A1LMNATDP1CCNB2
SCHEMBL4367442 0.72 TDO2 (0.44) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL23557732 0.71 FYN (0.38) KDM4EALDH1A1LMNATDP1CCNB2
SCHEMBL28296292 0.71 LRRK2 (0.40) KDM4EALDH1A1TDP1LRRK2CYP11B2
SCHEMBL18123835 0.70 SQOR (0.38) KDM4EALDH1A1CYP11B2MAPKAPK2
SCHEMBL4378433 0.69 MEN1 (0.48) KDM4EEGLN2CYP11B2CYP19A1MMP3
SCHEMBL21928359 0.69 EGLN2 (0.43) KDM4EALDH1A1CCNB2CDK1CCNB1
SCHEMBL1840144 0.69 MAP4K4 (0.43) CCNB2CDK1CCNB1GSK3AGSK3B

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 6 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
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
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 KDM4E 3120/4885ALDH1A1 1668/4885LMNA 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.