Sugi Predict

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SCHEMBL4480898

SCHEMBL4480898

N#Cc1ccc(Cn2nc3c(Br)c(-c4ccc(Cl)cc4)ccn3c2=O)nc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 10/20 0.43
▸ CYP3A4 P08684 1/20 0.39
▸ P2RX3 P56373 2/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ HPGD P15428 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ NT5E P21589 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL4468877 0.85 CNR1 (0.55) CNR1CYP3A4CYP2C19
SCHEMBL4475078 0.84 CNR1 (0.43) CNR1CYP3A4P2RX3MDM2KDM1A
SCHEMBL14541014 0.78 CNR1 (0.53) CNR1CYP3A4P2RX3MDM2NT5E
SCHEMBL4492947 0.74 CNR1 (0.45) CNR1CYP3A4CYP2C19
SCHEMBL14181001 0.74 CNR1 (0.60) CNR1CYP3A4CYP2C19
SCHEMBL4478401 0.74 CNR1 (0.53) CNR1CYP3A4CYP2C19
SCHEMBL4485839 0.73 CNR1 (0.48) CNR1CYP3A4CYP2C19
SCHEMBL4469688 0.73 CNR1 (0.59) CNR1CYP3A4CYP2C19LMNA
SCHEMBL13757185 0.70 CNR1 (0.45) CNR1CYP3A4CYP2C19
SCHEMBL4472028 0.70 CNR1 (0.57) CNR1CYP3A4KDM1ACYP2C19

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 CNR1 1/4885CYP3A4 572/4885P2RX3 59/4885

“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.