SCHEMBL4334250

SCHEMBL4334250

O=C(Cc1ccccc1)Nc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.67
ROCK1 Q13464 3/20 0.46
ROCK2 O75116 3/20 0.46
PRKACA P17612 2/20 0.46
NPY5R Q15761 1/20 0.46
GSK3B P49841 1/20 0.45
MAPK11 Q15759 2/20 0.44
MAPK13 O15264 1/20 0.44
GCGR P47871 1/20 0.44
MAPK12 P53778 1/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
KCNH2 Q12809 1/20 0.43

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 0.90 MAPK14 (0.55) MAPK14ROCK1PRKACAGSK3BMAPK11
SCHEMBL4331193 0.87 MAPK14 (0.54) MAPK14ROCK1PRKACAMAPK11MAPK13
SCHEMBL4336938 0.86 MAPK14 (0.56) MAPK14MAPK11KCNH2
SCHEMBL13785091 0.84 MAPK14 (0.48) MAPK14ROCK1ROCK2PRKACAMAPK11
SCHEMBL4331508 0.83 MAPK14 (0.48) MAPK14
SCHEMBL6177800 0.80 MAPK14 (1.00) MAPK14ROCK1PRKACAGSK3BMAPK11
SCHEMBL4338680 0.80 MAPK14 (0.67) MAPK14ROCK2MAPK11MAPK13GCGR
SCHEMBL4336943 0.79 MAPK14 (0.46) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL14411015 0.78 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL4348734 0.77 MAPK14 (0.63) MAPK14ROCK1PRKACAGSK3B

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 13/4885ROCK1 637/4885ROCK2 487/4885

“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.