Sugi Predict

Sugi Predict / Compounds / SCHEMBL4484113

SCHEMBL4484113

SCHEMBL4484113

Cc1cc(-c2ccc(Cl)cc2)c(Br)c2n[nH]c(=O)n12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 9/20 0.44
▸ CNR2 P34972 9/20 0.44
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PDE1A P54750 2/20 0.35
▸ PDE1B Q01064 2/20 0.35
▸ PDE3B Q13370 2/20 0.35
▸ PDE1C Q14123 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL4493055 0.79 CHEK1 (0.43) CHEK1
SCHEMBL4485857 0.74 LTK (0.48) CNR1CNR2PDE3BPDE3AKDM4E
SCHEMBL4842089 0.68 PDE1A (0.43) CNR1CNR2NPC1PDE1APDE1B
SCHEMBL4802594 0.67 RAB9A (0.41) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL3921034 0.66 KMT2A (0.51) KDM4ELMNAPOLBHPGDHSD17B10
SCHEMBL4478329 0.65 KDM4E (0.44) CNR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4487967 0.65 MAPK1 (0.47) CNR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4839988 0.65 PDE1A (0.47) CNR1CNR2PDE1APDE1BPDE3B
SCHEMBL11008551 0.65 NOTUM (0.53) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL5465039 0.64 CHEK1 (0.63) CHEK1

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 1/4885CNR2 2/4885NPC1 750/4885

“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.