SCHEMBL13848652

SCHEMBL13848652

Cc1cc(C(=O)O)cc(N2C=C(c3cccnc3)NN2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.44
MKNK1 Q9BUB5 3/20 0.43
MKNK2 Q9HBH9 3/20 0.43
GPR35 Q9HC97 2/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SLC2A1 P11166 1/20 0.38
APP P05067 1/20 0.38
GAA P10253 1/20 0.38
HCAR3 P49019 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CYP2A6 P11509 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL13848653 0.87 KMO (0.48) KMOMKNK1MKNK2KDM4ELMNA
SCHEMBL13848805 0.81 KMO (0.48) KMOMKNK1MKNK2ALDH1A1APP
SCHEMBL13848732 0.81 KMO (0.48) KMOMKNK1MKNK2ALDH1A1APP
SCHEMBL13848733 0.74 TP53 (0.39) ALDH1A1GAA
SCHEMBL4037031 0.74 MIF (0.51) KMOMKNK1MKNK2KDM4ELMNA
SCHEMBL4435973 0.72 KMO (0.62) KMOMKNK1MKNK2GPR35KDM4E
SCHEMBL13130326 0.72 RIPK2 (0.46) KMOMKNK1MKNK2KDM4EALDH1A1
SCHEMBL13848887 0.70 MKNK1 (0.44) MKNK1MKNK2KDM4EGAA
SCHEMBL13848899 0.68 TTR (0.40) MKNK1MKNK2KDM4EALDH1A1GAA
SCHEMBL17089048 0.67 KMO (0.77) KMOMKNK1MKNK2KDM4ELMNA

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
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-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
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 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 (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-20070142371-A1 Anti-Cytokine Heterocyclic Compounds TNF, IL6, IL1A KMO 2481/4885MKNK1 2802/4885MKNK2 2280/4885

“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.