SCHEMBL4338046

SCHEMBL4338046

CCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.65
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
SRC P12931 1/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
PRKACA P17612 2/20 0.42
ROCK1 Q13464 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
PTGS2 P35354 1/20 0.42
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
ADORA2B P29275 1/20 0.41
GSK3B P49841 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
SCHEMBL4348734 0.93 MAPK14 (0.63) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL6179804 0.91 MAPK14 (0.63) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL4343331 0.89 MAPK14 (0.71) MAPK14SRCBRAFKDRPRKACA
SCHEMBL6179169 0.83 MAPK14 (0.63) MAPK14PTGDR2PRKACAROCK1
SCHEMBL6176832 0.83 MAPK14 (0.63) MAPK14PTGDR2PRKACAROCK1
SCHEMBL4338053 0.82 MAPK14 (0.47) MAPK14PTGDR2ADORA3ADORA2AADORA1
SCHEMBL6177634 0.82 MAPK14 (0.49) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL6175483 0.81 MAPK14 (0.61) MAPK14
SCHEMBL6178749 0.81 MAPK14 (0.51) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL6176484 0.81 MAPK14 (0.53) MAPK14PTGDR2SRCBRAFKDR

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 13/4885CYP1A2 2035/4885CYP2C9 3800/4885

“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.