Sugi Predict

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SCHEMBL4493205

SCHEMBL4493205

CC(C)Cn1nc2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)ccn2c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ AR P10275 1/20 0.36
▸ CACNA1B Q00975 2/20 0.36
▸ RIPK3 Q9Y572 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ GPR139 Q6DWJ6 2/20 0.34
▸ GCGR P47871 3/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ PTGS2 P35354 4/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ DPP4 P27487 1/20 0.32

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
SCHEMBL4469437 0.89 GPR139 (0.38) CACNA1BGPR139
SCHEMBL4488896 0.88 CNR1 (0.37) CACNA1BKDM4EHPGDHSD17B10GPR139
SCHEMBL4478906 0.87 CACNA1B (0.39) CACNA1BGPR139
SCHEMBL4481717 0.87 MEN1 (0.41) CACNA1BALDH1A1KDM4EHPGDGPR139
SCHEMBL4471352 0.85 CNR1 (0.41) ALDH1A1KDM4EHPGDDPP4
SCHEMBL4493845 0.84 PDE9A (0.38) KDM4E
SCHEMBL4485838 0.83 MEN1 (0.40) CACNA1BHPGDGPR139
SCHEMBL4477708 0.78 CNR1 (0.38) DPP4
SCHEMBL4478350 0.77 PIK3CA (0.46) GPR139
SCHEMBL4487504 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDTSHRHSD17B10

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 PGR 643/4885NR3C2 964/4885AR 1083/4885

“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.