SCHEMBL3374034

SCHEMBL3374034

N#Cc1ccc(CBr)c(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
CYP2A6 P11509 3/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
STS P08842 1/20 0.34
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA14 Q9ULX7 1/20 0.33
SNCA P37840 1/20 0.33
HTR2A P28223 1/20 0.32
KCNH2 Q12809 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
SCHEMBL27552968 0.83 GSK3B (0.37) GSK3BIMPDH2IMPDH1CYP2A6LOXL2
SCHEMBL3872780 0.83 GSK3B (0.39) GSK3BIMPDH2IMPDH1CYP2A6LOXL2
SCHEMBL29273438 0.81 IMPDH2 (0.38) IMPDH2IMPDH1CYP2A6LOXL2STS
SCHEMBL2095844 0.79 CA2 (0.38) IMPDH2IMPDH1CYP2A6LOXL2STS
SCHEMBL365958 0.79 MPO (0.40) SNCA
SCHEMBL24108416 0.79 IMPDH2 (0.37) IMPDH2IMPDH1CYP2A6LOXL2STS
SCHEMBL409734 0.79 MEN1 (0.43) GSK3BIMPDH2IMPDH1CYP2A6LOXL2
SCHEMBL2095842 0.79 STS (0.37) GSK3BIMPDH2IMPDH1CYP2A6LOXL2
SCHEMBL8364091 0.79 SNCA (0.41) CYP2A6LOXL2ALDH1A1SNCA
SCHEMBL24108415 0.79 IMPDH2 (0.37) IMPDH2IMPDH1CYP2A6LOXL2STS

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1752455-B1 Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2010-11-10 EP disclosed
US-7807694-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2010-10-05 US disclosed
US-7807694-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2010-10-05 US disclosed
US-7807694-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2010-10-05 US disclosed
EP-1752455-A2 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2007-02-14 EP disclosed
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-11-09 US disclosed
US-7091217-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-08-15 US disclosed
EP-1317451-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-08-09 EP disclosed
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-09-02 US disclosed
US-6734191-B2 PREFERABLY TERTIARY AMINES COMPRISING TETRAHYDROQUINOLINE AND BENZIMIDAZOLE; USE TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND FELINE IMMUNODEFICIENCY VIRUS (FIV) ANORMED, INC. (CA) 2004-05-11 US disclosed
EP-1317451-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-02-06 US disclosed
WO-2002034745-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-05-02 WO disclosed
US-4179578-A Para-phenyl stilbene derivatives SANDOZ LTD. (CH) 1979-12-18 US disclosed
US-4032558-A PARA-PHENYL STILBENE DERIVATIVES SANDOZ LTD. (CH) 1977-06-28 US 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 (3 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-20060252795-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 GSK3B 3143/4885IMPDH2 1223/4885IMPDH1 1183/4885
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 GSK3B 3143/4885IMPDH2 1223/4885IMPDH1 1183/4885
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 GSK3B 3143/4885IMPDH2 1223/4885IMPDH1 1183/4885

“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.