SCHEMBL5733592

SCHEMBL5733592

Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.48
MAPK14 Q16539 12/20 0.44
MAPK13 O15264 4/20 0.44
MAPK12 P53778 4/20 0.44
MAPK11 Q15759 4/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
RIPK2 O43353 2/20 0.40
AURKA O14965 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
LTK P29376 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CLK2 P49760 1/20 0.39
CDK5 Q00535 1/20 0.39
ACVR1 Q04771 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL29396544 0.82 MEN1 (0.64) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL16280011 0.82 MEN1 (0.64) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL368379 0.81 MEN1 (0.48) CDK8MAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL4074918 0.80 MEN1 (0.50) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL2084183 0.78 GRN (0.49) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL31165906 0.78 ALDH1A1 (0.48) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL21436696 0.78 ALDH1A1 (0.48) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL10363266 0.78 RAB9A (0.49) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL5733233 0.78 MEN1 (0.48) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL366727 0.77 NPC1 (0.60) CDK8MAPK14MAPK13MAPK12MAPK11

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-1690854-A1 Heterocyclic urea and related compounds useful as anti-inflammatory agents Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2006-08-16 EP disclosed
US-7026476-B2 Intermediate arylamine compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-11 US disclosed
US-7019006-B2 Modulating release of inflammatory cytokines by administering, e.g., a 1-(5-tert-butyl-2-methyl-phenyl)-3-(6-((3-methoxy-propyl)-methylaminopyridin-3-yl)phthalen-1-yl) urea or thiourea; treating a neutrophil-mediated disease BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-03-28 US disclosed
EP-1466906-A1 Heterocyclic urea and related compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-10-13 EP disclosed
US-20040019038-A1 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-01-29 US disclosed
US-20030225077-A1 Intermediate arylamine compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
US-6656933-B2 Novel compounds which inhibit production of cytokines involved in inflammatory processes BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-02 US disclosed
US-20020082256-A1 Compounds useful as anti-inflammatory agents BETAGERI RAJASHEHAR (US) 2002-06-27 US disclosed
US-6358945-B1 CYTOKINE, TUMOR NECROSIS FACTOR, AND INTERLEUKIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-19 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-20030225077-A1 Intermediate arylamine compounds AHR, AADAC, NAT1 CDK8 928/4885MAPK14 2681/4885MAPK13 2965/4885
US-20020082256-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO CDK8 1006/4885MAPK14 2740/4885MAPK13 2477/4885
US-20040019038-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO CDK8 1006/4885MAPK14 2740/4885MAPK13 2477/4885

“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.