SCHEMBL4331193

SCHEMBL4331193

COc1ccc(CC(=O)Nc2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.54
ROCK1 Q13464 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
CCNE2 O96020 1/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK1 P28482 1/20 0.47
MAPK13 O15264 1/20 0.46
ALOX5 P09917 1/20 0.46
GCGR P47871 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
CYP3A4 P08684 1/20 0.46
WNT3A P56704 1/20 0.46

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
SCHEMBL13785093 0.88 MAPK14 (0.55) MAPK14ROCK1ALDH1A1KMT2AMAPT
SCHEMBL4334250 0.87 MAPK14 (0.67) MAPK14ROCK1CDK2MAPK13GCGR
SCHEMBL6177710 0.83 MAPK14 (0.78) MAPK14ROCK1ALDH1A1MEN1KMT2A
SCHEMBL6180262 0.80 MAPK14 (0.56) MAPK14ROCK1ALDH1A1MEN1KMT2A
SCHEMBL4336938 0.78 MAPK14 (0.56) MAPK14ALDH1A1MEN1KMT2AMAPK1
SCHEMBL14411238 0.76 MAPK14 (0.51) MAPK14MEN1KMT2AMAPK13ALOX5
SCHEMBL13785091 0.76 MAPK14 (0.48) MAPK14ROCK1MEN1KMT2AMAPK11
SCHEMBL4336422 0.76 MAPK14 (0.45) MAPK14ROCK1MEN1KMT2ACCNE2
SCHEMBL4331508 0.75 MAPK14 (0.48) MAPK14ALDH1A1MEN1KMT2AMAPT
SCHEMBL14519649 0.75 MAPK14 (0.48) MAPK14CCNE2CDK4CCND1CCNE1

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 5 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
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

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-20090192164-A1 Treating agent of inflammatory bowel disease MAPK6, SLC10A2, MAP3K6 MAPK14 13/4885ROCK1 637/4885ALDH1A1 1103/4885

“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.