SCHEMBL4336948

SCHEMBL4336948

Cc1ccccc1CNC(=O)c1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.47
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 2/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
GRM5 P41594 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
GSK3B P49841 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
SCHEMBL6028850 0.91 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11NAMPT
SCHEMBL6028954 0.89 MAPK3 (0.48) MAPK14MAPK13MAPK12MAPK11SMN1; SMN2
SCHEMBL6028826 0.89 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11SMN1; SMN2
SCHEMBL6029068 0.89 HDAC6 (0.44) MAPK14MAPK13MAPK12MAPK11SMN1; SMN2
SCHEMBL6028891 0.89 MAPT (0.50) MAPK14SMN1; SMN2ROCK2ROCK1ALDH1A1
SCHEMBL4340891 0.89 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11SMN1; SMN2
SCHEMBL6028765 0.87 MAPK14 (0.55) MAPK14SMN1; SMN2NAMPTROCK2ROCK1
SCHEMBL6028485 0.86 L3MBTL1 (0.53) MAPK14SMN1; SMN2NAMPTROCK2ROCK1
SCHEMBL6029439 0.84 SMN1; SMN2 (0.48) MAPK14SMN1; SMN2NAMPTCSNK1DCSNK1E
SCHEMBL27490656 0.83 MAPK14 (0.48) MAPK14GRM5CSNK1DCSNK1EEGFR

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
US-20090192164-A1 Treating agent of inflammatory bowel disease ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US claimed
EP-2044957-A1 TREATMENT AGENT FOR INFLAMMATORY BOWEL DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP claimed
US-20090192164-A1 Treating agent of inflammatory bowel disease ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US disclosed
EP-2044957-A1 TREATMENT AGENT FOR INFLAMMATORY BOWEL DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
US-7087624-B2 Substituted pyrazole compounds TEIKOJU HORMONE MFG. CO., LTD. (JP) 2006-08-08 US disclosed
EP-1188754-B1 SUBSTITUTED PYRAZOLE COMPOUNDS TEIKOKU HORMONE MFG CO LTD (JP) 2005-06-01 EP disclosed
US-20040087628-A1 Substituted pyrazole compounds MINAMI NOBUYOSHI (JP) 2004-05-06 US disclosed
US-6667325-B1 P38MAP kinase inhibiters; tumor necrosis factor alpha, interleukin 1 and 6 and cyclooxygenase II related diseases TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-12-23 US disclosed
EP-1188754-A1 SUBSTITUTED PYRAZOLE COMPOUNDS Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-03-20 EP 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-20040087628-A1 Substituted pyrazole compounds CNKSR1, MAPK1, IRAK1 MAPK14 64/4885MAPK13 79/4885MAPK12 164/4885
US-20090192164-A1 Treating agent of inflammatory bowel disease MAPK6, SLC10A2, MAP3K6 MAPK14 13/4885MAPK13 36/4885MAPK12 15/4885

“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.