SCHEMBL4469422

SCHEMBL4469422

Cc1nc(NN)cc(-c2ccc(Cl)cc2)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NR1I2 O75469 1/20 0.41
AHR P35869 1/20 0.41
MAPT P10636 5/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
PPARG P37231 1/20 0.38
STAT3 P40763 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL4469320 0.79 RAB9A (0.40) ALDH1A1NR1I2AHRMAPTKMT2A
SCHEMBL4481504 0.76 KDM4E (0.47) ALDH1A1NR1I2AHRMAPTKMT2A
SCHEMBL3561375 0.72 TDO2 (0.40) ALDH1A1MAPTKMT2AKDM4ENPC1
SCHEMBL4478183 0.69 KDM4E (0.49) ALDH1A1AHRMAPTKMT2AKDM4E
SCHEMBL4872895 0.69 MAPT (0.41) ALDH1A1AHRMAPTKDM4EGAA
SCHEMBL11822896 0.64 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL4484227 0.64 KDM4E (0.47) ALDH1A1MAPTKDM4ECYP3A4TDO2
SCHEMBL3553347 0.62 DEGS1 (0.42) ALDH1A1KDM4ENPC1RAB9ARXFP1
SCHEMBL31388508 0.62 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AKDM4EGAA
SCHEMBL31200409 0.62 RAB9A (0.46) ALDH1A1MAPTKMT2AKDM4ENPC1

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 7 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
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 ALDH1A1 1668/4885NR1I2 233/4885AHR 650/4885

“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.