SCHEMBL4331652

SCHEMBL4331652

CCc1ccccc1CNC(=O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 3/20 0.46
MAPK1 P28482 3/20 0.46
MAPK14 Q16539 10/20 0.45
MAPK11 Q15759 3/20 0.43
KCNH2 Q12809 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ROCK2 O75116 3/20 0.42
GRK2 P25098 1/20 0.42
GSK3B P49841 1/20 0.41
ROCK1 Q13464 2/20 0.40
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL6028850 0.79 MAPK14 (0.48) MAPK14MAPK11ROCK2GSK3BROCK1
SCHEMBL4336706 0.78 MAPK14 (0.43) MAPK14MAPK11ROCK2GSK3BROCK1
SCHEMBL6029537 0.77 MAPK14 (0.42) MAPK14MAPK11HDAC6ROCK2GSK3B
SCHEMBL4331656 0.73 MAPK14 (0.54) MAPK14MAPK11KCNH2
SCHEMBL4336938 0.71 MAPK14 (0.56) MAPK3MAPK1MAPK14MAPK11KCNH2
SCHEMBL4340891 0.71 MAPK14 (0.44) MAPK14MAPK11ROCK2GSK3BROCK1
SCHEMBL4336948 0.70 MAPK14 (0.47) MAPK14MAPK11ROCK2GSK3BROCK1
SCHEMBL5256306 0.69 MAPK14 (0.50) MAPK14MAPK11KCNH2ROCK2GRK2
SCHEMBL6028826 0.69 MAPK14 (0.43) MAPK14MAPK11HDAC6ROCK2GSK3B
SCHEMBL13785091 0.69 MAPK14 (0.48) MAPK14MAPK11KCNH2ROCK2ROCK1

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 4 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

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 MAPK3 20/4885MAPK1 25/4885MAPK14 13/4885

“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.