SCHEMBL4336706

SCHEMBL4336706

CCc1ccccc1CNC(=O)c1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
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
SRC P12931 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PTGS2 P35354 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MAPK10 P53779 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL6029537 0.92 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4340891 0.92 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL6028798 0.89 MAPK1 (0.49) MAPK14GSK3BSRCBRAFKDR
SCHEMBL6028850 0.89 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL6029490 0.87 SMN1; SMN2 (0.47) MAPK14ALDH1A1
SCHEMBL6028826 0.85 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL6029068 0.83 HDAC6 (0.44) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL6029791 0.82 MAPK14 (0.49) MAPK14GSK3BSRCBRAFKDR
SCHEMBL4336948 0.80 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL6028954 0.80 MAPK3 (0.48) MAPK14MAPK13MAPK12MAPK11ROCK2

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.