SCHEMBL4329196

SCHEMBL4329196

Cc1ccccc1CC(=O)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.55
KDM4E B2RXH2 1/20 0.42
GRM5 P41594 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
GSK3B P49841 1/20 0.41
NAMPT P43490 2/20 0.41
SRC P12931 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL4338463 0.91 MAPK14 (0.54) MAPK14KDM4EGRM5CSNK1DCSNK1E
SCHEMBL4329813 0.91 MAPK14 (0.56) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL6178426 0.91 MAPK14 (0.56) MAPK14KDM4EGRM5CSNK1DCSNK1E
SCHEMBL4338017 0.90 MAPK14 (0.55) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL6179743 0.90 MAPK14 (0.55) MAPK14KDM4EGRM5CSNK1DCSNK1E
SCHEMBL13785079 0.89 MAPK14 (0.54) MAPK14KDM4EGRM5CSNK1DCSNK1E
SCHEMBL4339530 0.89 MAPK14 (0.53) MAPK14CSNK1D
SCHEMBL4343517 0.89 MAPK14 (0.56) MAPK14KDM4EGRM5CSNK1DCSNK1E
SCHEMBL6177394 0.88 MAPK14 (0.47) MAPK14GRM5CSNK1DCSNK1EEGFR
SCHEMBL7134239 0.88 MAPK14 (0.52) MAPK14KDM4EGRM5CSNK1DCSNK1E

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 9 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
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 13/4885KDM4E 3501/4885GRM5 1958/4885

“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.