SCHEMBL4337031

SCHEMBL4337031

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1cccc(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.52
KDM4E B2RXH2 1/20 0.43
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PRKACA P17612 1/20 0.40
ROCK1 Q13464 1/20 0.40
NAMPT P43490 1/20 0.39
GRM5 P41594 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAPT P10636 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
SCHEMBL4329813 0.92 MAPK14 (0.56) MAPK14KDM4ECSNK1DCSNK1EMEN1
SCHEMBL4335755 0.89 MAPK14 (0.54) MAPK14KDM4ECSNK1DCSNK1EGRM5
SCHEMBL6178426 0.88 MAPK14 (0.56) MAPK14KDM4ECSNK1DCSNK1ENAMPT
SCHEMBL4338017 0.87 MAPK14 (0.55) MAPK14KDM4ECSNK1DCSNK1ERAB9A
SCHEMBL4329196 0.87 MAPK14 (0.55) MAPK14KDM4ECSNK1DCSNK1ENAMPT
SCHEMBL6179743 0.87 MAPK14 (0.55) MAPK14KDM4ECSNK1DCSNK1EROCK1
SCHEMBL6177398 0.87 MAPK14 (0.52) MAPK14KDM4ECSNK1DCSNK1E
SCHEMBL13785079 0.86 MAPK14 (0.54) MAPK14KDM4ECSNK1DCSNK1ENAMPT
SCHEMBL4338463 0.86 MAPK14 (0.54) MAPK14KDM4ECSNK1DCSNK1ENAMPT
SCHEMBL6178427 0.86 MAPK14 (0.51) MAPK14KDM4ECSNK1DCSNK1ENAMPT

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 3501/4885CSNK1D 288/4885

“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.