SCHEMBL4336422

SCHEMBL4336422

COc1ccc(CN(C)C(=O)c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.45
ALOX5 P09917 4/20 0.45
MAPK11 Q15759 3/20 0.45
MAPK13 O15264 2/20 0.45
MAPK12 P53778 2/20 0.45
GCGR P47871 1/20 0.45
SLC2A1 P11166 2/20 0.43
SRC P12931 1/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
SLC2A4 P14672 2/20 0.42
SLC2A8 Q9NY64 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.41
RIPK3 Q9Y572 1/20 0.41
CCNE2 O96020 2/20 0.39
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 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
SCHEMBL6028828 0.80 SRC (0.49) MAPK14ALOX5MAPK11MAPK13MAPK12
SCHEMBL4331656 0.77 MAPK14 (0.54) MAPK14ALOX5MAPK11MAPK13MAPK12
SCHEMBL13893017 0.76 MAPK1 (0.38) MAPK1MEN1KMT2AHSP90AA1
SCHEMBL4331193 0.76 MAPK14 (0.54) MAPK14ALOX5MAPK11MAPK13MAPK12
SCHEMBL14519649 0.74 MAPK14 (0.48) MAPK14ALOX5MAPK11MAPK13MAPK12
SCHEMBL14519631 0.74 MAPK14 (0.50) MAPK14ALOX5MAPK11MAPK13MAPK12
SCHEMBL14519643 0.72 MAPK14 (0.48) MAPK14ALOX5MAPK11MAPK13MAPK12
SCHEMBL27473245 0.71 MEN1 (0.48) MAPK1MEN1KMT2AROCK2ROCK1
SCHEMBL6175653 0.69 SRC (0.50) MAPK14ALOX5MAPK11MAPK13MAPK12
SCHEMBL7237239 0.69 MMP13 (0.73) SLC2A1SLC2A4SLC2A8MEN1KMT2A

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 6 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

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 13/4885ALOX5 657/4885MAPK11 50/4885

“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.