SCHEMBL4032989

SCHEMBL4032989

O=C(O)c1ccc(F)c(-n2cc(-c3cccnc3)nn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.52
KMO O15229 2/20 0.49
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
STIM1 Q13586 5/20 0.48
ORAI1 Q96D31 5/20 0.48
LDHA P00338 3/20 0.47
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
P2RY14 Q15391 1/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
PRKCA P17252 1/20 0.41

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
SCHEMBL4033982 0.86 MIF (0.52) MIFKMOMKNK1MKNK2STIM1
SCHEMBL4032187 0.86 MIF (0.52) MIFKMOMKNK1MKNK2STIM1
SCHEMBL4037031 0.80 MIF (0.51) MIFKMOMKNK1MKNK2STIM1
SCHEMBL1430355 0.79 STIM1 (0.48) STIM1ORAI1LDHANPC1RAB9A
SCHEMBL7379809 0.76 KMO (0.62) KMOMKNK1MKNK2ABCB1IP6K1
SCHEMBL13836542 0.76 ABCG2 (0.53) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL26915300 0.75 P2RY14 (0.64) P2RY14
SCHEMBL3642234 0.75 MIF (0.51) MIFMKNK1MKNK2ABL1BCR
SCHEMBL29084551 0.74 CYP19A1 (0.53) MIFABL1BCR
SCHEMBL29611620 0.74 CYP19A1 (0.53) MIFABCG2ABL1BCR

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 9 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
CN-1930144-A 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) 2007-03-14 CN 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 MIF 24/4885KMO 2481/4885MKNK1 2802/4885
US-20060079519-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL1A MIF 24/4885KMO 2481/4885MKNK1 2802/4885

“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.