SCHEMBL3740171

SCHEMBL3740171

O=C(O)c1nc(-c2ccccn2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.58
KDM4A O75164 2/20 0.58
KDM4B O94953 1/20 0.58
KDM5B Q9UGL1 1/20 0.58
CYP19A1 P11511 1/20 0.58
CSNK2A1 P68400 1/20 0.57
CSNK2A2 P19784 1/20 0.54
CSNK2B P67870 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.53
MAPT P10636 5/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NR1I2 O75469 1/20 0.53
NFKB1 P19838 1/20 0.53
PPP1CA P62136 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RAB9A P51151 4/20 0.52
LMNA P02545 3/20 0.52

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
SCHEMBL13078240 0.85 ADORA3 (0.54) ADORA3KDM4AKDM4BKDM5BCYP19A1
SCHEMBL1844025 0.85 ADORA3 (0.54) ADORA3KDM4AKDM4BKDM5BCYP19A1
SCHEMBL5048867 0.82 ECE1 (0.42) KDM4AKDM4BKDM5BSMN1; SMN2MAPT
SCHEMBL13044110 0.81 GRM1 (0.53) ADORA3KDM4AKDM4BKDM5BCYP19A1
SCHEMBL167820 0.79 RAB9A (0.58) ADORA3CSNK2A1SMN1; SMN2MAPTMEN1
SCHEMBL24247813 0.78 SMN1; SMN2 (0.51) ADORA3KDM4AKDM4BKDM5BCYP19A1
SCHEMBL7080116 0.77 HDAC1 (0.49) ADORA3KDM4AKDM4BKDM5BCYP19A1
SCHEMBL2998083 0.76 ADORA3 (0.79) ADORA3KDM4AKDM4BKDM5BCSNK2A1
SCHEMBL11387059 0.76 ADORA3 (0.55) ADORA3KDM4AKDM4BKDM5BCYP19A1
SCHEMBL7215393 0.76 NPC1 (0.72) ADORA3KDM4AKDM4BKDM5BCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 EP disclosed
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1656138-A4 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-04-18 EP disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
EP-1656345-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
WO-2005021500-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-4260765-A APHIDICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4080457-A INSECTICIDES, PESTICIDES, MITICIDES UNIROYAL CHEMICAL COMPANY, INC. 1978-03-21 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 (4 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ADORA3 884/4885KDM4A 4727/4885KDM4B 4764/4885
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 ADORA3 395/4885KDM4A 4543/4885KDM4B 4302/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 ADORA3 884/4885KDM4A 4727/4885KDM4B 4764/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ADORA3 884/4885KDM4A 4727/4885KDM4B 4764/4885

“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.