SCHEMBL4338919

SCHEMBL4338919

O=C(Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CCO)C(Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.43
SRC P12931 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
GSK3B P49841 2/20 0.40
EGFR P00533 1/20 0.40
RAF1 P04049 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PRKACA P17612 1/20 0.38
CDK8 P49336 1/20 0.38
GSK3A P49840 1/20 0.38
PRKX P51817 1/20 0.38
PRKCQ Q04759 1/20 0.38

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
SCHEMBL6176488 0.90 MAPK14 (0.45) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL6177933 0.87 MAPK14 (0.47) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL4338023 0.86 MAPK14 (0.49) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL6176150 0.84 BRAF (0.55) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL6179804 0.83 MAPK14 (0.63) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL6176790 0.81 MAPK14 (0.52) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL4338910 0.80 MAPK14 (0.52) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL6179810 0.79 MAPK14 (0.47) MAPK14PTGDR2ADORA3ADORA2AADORA2B
SCHEMBL7138398 0.78 MAPK14 (0.66) MAPK14PTGDR2SRCBRAFKDR
SCHEMBL6178643 0.78 MAPK14 (0.48) 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 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 13/4885PTGDR2 72/4885SRC 290/4885

“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.