SCHEMBL4339552

SCHEMBL4339552

CC(=O)Nc1onc(-c2ccc(F)c(C)c2)c1-c1ccncc1.c1cc2cc-2c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.66
MLYCD O95822 2/20 0.47
HSP90AA1 P07900 5/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
CA4 P22748 2/20 0.40
BLM P54132 1/20 0.39
CSNK1D P48730 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
SCHEMBL4332741 0.87 MAPK14 (0.73) MAPK14MLYCDHSP90AA1CA1CA2
SCHEMBL4335420 0.81 MAPK14 (0.75) MAPK14MLYCD
SCHEMBL4329157 0.81 MAPK14 (0.80) MAPK14MLYCD
SCHEMBL4338188 0.80 MAPK14 (0.51) MAPK14MLYCDHSP90AA1CSNK1D
SCHEMBL4339564 0.80 MAPK14 (0.56) MAPK14MLYCDHSP90AA1BLMCSNK1D
SCHEMBL4330141 0.80 MAPK14 (0.76) MAPK14MLYCD
SCHEMBL4335643 0.80 MAPK14 (0.50) MAPK14MLYCDHSP90AA1
SCHEMBL4338186 0.80 MAPK14 (0.64) MAPK14MLYCD
SCHEMBL4337134 0.79 MAPK14 (0.56) MAPK14MLYCDHSP90AA1CA1CA2
SCHEMBL4335579 0.79 MAPK14 (0.70) MAPK14MLYCDHSP90AA1

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 4 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

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 13/4885MLYCD 2846/4885HSP90AA1 240/4885

“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.