SCHEMBL4338910

SCHEMBL4338910

O=C(Cc1ccccc1Cl)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.41
TACR1 P25103 1/20 0.40
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK11 Q15759 1/20 0.39
EGFR P00533 2/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 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
SRC P12931 2/20 0.39
BRAF P15056 2/20 0.39
KDR P35968 2/20 0.39
RIPK2 O43353 1/20 0.39
TNK2 Q07912 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
SCHEMBL6176484 0.90 MAPK14 (0.53) MAPK14PTGDR2TACR1MAPK9MAPK10
SCHEMBL6179804 0.89 MAPK14 (0.63) MAPK14PTGDR2EGFRRAF1ADORA3
SCHEMBL4335434 0.88 MAPK14 (0.50) MAPK14
SCHEMBL4338017 0.88 MAPK14 (0.55) MAPK14TACR1MAPK9MAPK10MAPK11
SCHEMBL6176141 0.85 MAPK14 (0.54) MAPK14EGFRSRCBRAFKDR
SCHEMBL4338919 0.80 MAPK14 (0.46) MAPK14PTGDR2MAPK11EGFRRAF1
SCHEMBL4338046 0.80 MAPK14 (0.65) MAPK14PTGDR2EGFRRAF1ADORA3
SCHEMBL6180611 0.79 MAPK14 (0.48) MAPK14TACR1
SCHEMBL6178426 0.79 MAPK14 (0.56) MAPK14PTGDR2EGFRRAF1ADORA3
SCHEMBL4348734 0.79 MAPK14 (0.63) MAPK14PTGDR2EGFRRAF1ADORA3

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 13/4885PTGDR2 72/4885TACR1 1690/4885

“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.