SCHEMBL4331483

SCHEMBL4331483

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)C(F)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.47
CSNK1D P48730 4/20 0.41
CSNK1E P49674 4/20 0.41
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
NAMPT P43490 1/20 0.40
CSNK1A1 P48729 1/20 0.40
GRM5 P41594 1/20 0.39
MAPT P10636 1/20 0.39
EGFR P00533 1/20 0.39
RAF1 P04049 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
GSK3B P49841 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
SCHEMBL4329823 0.91 MAPK14 (0.50) MAPK14CSNK1DCSNK1ECSNK1A1GRM5
SCHEMBL6178431 0.90 MAPK14 (0.53) MAPK14CSNK1DCSNK1ECSNK1A1GRM5
SCHEMBL6177916 0.85 MAPK14 (0.48) MAPK14CSNK1DCSNK1ECSNK1A1GRM5
SCHEMBL4335760 0.83 MAPK14 (0.48) MAPK14CSNK1DCSNK1ECSNK1A1GRM5
SCHEMBL6179749 0.83 MAPK14 (0.50) MAPK14CSNK1DCSNK1EGRM5MAPT
SCHEMBL4329207 0.83 MAPK14 (0.50) MAPK14CSNK1DCSNK1EGRM5MAPT
SCHEMBL4343524 0.83 PSEN1 (0.48) MAPK14CSNK1DCSNK1ENAMPTCSNK1A1
SCHEMBL6177746 0.82 MAPK14 (0.47) MAPK14CSNK1DCSNK1ENAMPTCSNK1A1
SCHEMBL6178590 0.82 MAPK14 (0.56) MAPK14CSNK1DCSNK1ECSNK1A1GRM5
SCHEMBL4338469 0.82 MAPK14 (0.49) MAPK14CSNK1DCSNK1EGRM5MAPT

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 7 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
EP-1142890-B1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2005-08-03 EP disclosed
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 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 13/4885CSNK1D 288/4885CSNK1E 305/4885

“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.