SCHEMBL4338680

SCHEMBL4338680

O=C(Cc1ccccc1)Cc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.67
ROCK2 O75116 1/20 0.49
GRK2 P25098 1/20 0.49
MAPK11 Q15759 7/20 0.46
MAPK13 O15264 4/20 0.46
MAPK12 P53778 4/20 0.46
GCGR P47871 3/20 0.46
KCNH2 Q12809 1/20 0.44
MAPK10 P53779 1/20 0.43
ALOX5 P09917 3/20 0.42
TGFBR1 P36897 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
SCHEMBL5332014 0.80 MAPK14 (0.59) MAPK14ROCK2GRK2MAPK11MAPK13
SCHEMBL4334246 0.80 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL4334250 0.80 MAPK14 (0.67) MAPK14ROCK2MAPK11MAPK13MAPK12
SCHEMBL4329826 0.79 MAPK14 (0.73) MAPK14ROCK2GRK2MAPK11MAPK13
SCHEMBL14411717 0.79 MAPK14 (0.65) MAPK14ROCK2GRK2MAPK11MAPK13
SCHEMBL6028611 0.78 MAPK14 (0.59) MAPK14MAPK10
SCHEMBL5260149 0.77 MAPK14 (0.69) MAPK14ROCK2GRK2MAPK11MAPK13
SCHEMBL5257333 0.75 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL25044527 0.75 MAPK14 (0.52) MAPK14ROCK2MAPK11MAPK13MAPK12
SCHEMBL23410273 0.75 MAPK14 (0.56) MAPK14MAPK11KCNH2

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 6 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
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 13/4885ROCK2 487/4885GRK2 304/4885

“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.