SCHEMBL4041276

SCHEMBL4041276

Cc1ccc(C(=O)O)cc1-n1cc(-c2ccccn2)nn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.66
GSK3B P49841 1/20 0.66
KDM6B O15054 6/20 0.50
KDM5C P41229 6/20 0.50
KDM2A Q9Y2K7 6/20 0.50
KDM3A Q9Y4C1 5/20 0.50
KDM4C Q9H3R0 5/20 0.50
KDM4E B2RXH2 4/20 0.50
KDM4A O75164 3/20 0.50
MIF P14174 1/20 0.48
TP53 P04637 1/20 0.45
GRM5 P41594 1/20 0.43
LDHA P00338 1/20 0.43
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
F12 P00748 1/20 0.42
PLAU P00749 1/20 0.42
GPR142 Q7Z601 1/20 0.41
PIN1 Q13526 1/20 0.41
ALKBH2 Q6NS38 1/20 0.40

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
SCHEMBL4032150 0.84 FLT3 (0.44) FLT3GSK3BTP53LDHAGPR142
SCHEMBL4032187 0.81 MIF (0.52) MIFTP53LDHAGPR142
SCHEMBL14602792 0.79 KCNMA1 (0.56) KDM4EMIFTP53
SCHEMBL4034671 0.79 LDHA (0.45) TP53LDHAGPR142
SCHEMBL3527932 0.78 TP53 (0.48) FLT3GSK3BTP53LDHAGPR142
SCHEMBL12990973 0.78 TP53 (0.48) TP53LDHA
SCHEMBL9906354 0.77 ALDH1A1 (0.43) KDM4ETP53GPR142
SCHEMBL4017188 0.77 GPR142 (0.44) TP53LDHAGPR142
SCHEMBL21611777 0.74 GPR142 (0.66) TP53GPR142
SCHEMBL13117482 0.74 KDM4C (0.59) KDM6BKDM5CKDM2AKDM3AKDM4C

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
EP-1725544-B1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-05-27 EP disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
EP-1887003-A1 3-[4-HETEROCYCLYL -1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-02-13 EP disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
EP-1725544-A1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-29 EP disclosed
US-20060079519-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-13 US disclosed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 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 (2 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-20070142371-A1 Anti-Cytokine Heterocyclic Compounds TNF, IL6, IL1A FLT3 2991/4885GSK3B 2935/4885KDM6B 4412/4885
US-20060079519-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL1A FLT3 2991/4885GSK3B 2935/4885KDM6B 4412/4885

“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.