SCHEMBL4338012

SCHEMBL4338012

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C(O)CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.57
SRC P12931 1/20 0.46
BRAF P15056 1/20 0.46
KDR P35968 1/20 0.46
EGFR P00533 1/20 0.44
RAF1 P04049 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
GSK3B P49841 1/20 0.44
MAPK13 O15264 1/20 0.43
GCGR P47871 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
PTGS2 P35354 1/20 0.41

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
SCHEMBL6028803 0.95 MAPK14 (0.53) MAPK14SRCBRAFKDREGFR
SCHEMBL6028663 0.91 MAPK14 (0.48) MAPK14SRCBRAFKDREGFR
SCHEMBL6028641 0.89 MAPK14 (0.47) MAPK14SRCBRAFKDREGFR
SCHEMBL6029192 0.89 MAPK14 (0.47) MAPK14SRCBRAFKDRGSK3B
SCHEMBL6029979 0.88 MAPK14 (0.55) MAPK14SRCBRAFKDREGFR
SCHEMBL6028727 0.88 MAPK14 (0.55) MAPK14SRCBRAFKDREGFR
SCHEMBL6029427 0.87 MAPK14 (0.54) MAPK14SRCBRAFKDREGFR
SCHEMBL6030065 0.87 MAPK14 (0.54) MAPK14SRCBRAFKDREGFR
SCHEMBL6028093 0.83 MAPK14 (0.51) MAPK14SRCBRAFKDREGFR
SCHEMBL6028124 0.82 MAPK14 (0.50) MAPK14SRCBRAFKDREGFR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1281604-C Substituted pyrazole compounds TEIKOKU HORMONE MFG CO LTD (JP) 2006-10-25 CN disclosed
US-7087624-B2 Substituted pyrazole compounds TEIKOJU HORMONE MFG. CO., LTD. (JP) 2006-08-08 US disclosed
EP-1188754-B1 SUBSTITUTED PYRAZOLE COMPOUNDS TEIKOKU HORMONE MFG CO LTD (JP) 2005-06-01 EP disclosed
CN-1560051-A Substituted pyrazole compounds �۹���ҩ��ʽ���� 2005-01-05 CN disclosed
CN-1178931-C Substituted pyrazole compounds �۹���ҩ��ʽ���� 2004-12-08 CN disclosed
US-20040087628-A1 Substituted pyrazole compounds MINAMI NOBUYOSHI (JP) 2004-05-06 US disclosed
US-6667325-B1 P38MAP kinase inhibiters; tumor necrosis factor alpha, interleukin 1 and 6 and cyclooxygenase II related diseases TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-12-23 US disclosed
CN-1353704-A Substituted pyrazole compounds TEIKOKU HORMONE MFG CO LTD (JP) 2002-06-12 CN disclosed
EP-1188754-A1 SUBSTITUTED PYRAZOLE COMPOUNDS Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-03-20 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 (2 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-20040087628-A1 Substituted pyrazole compounds CNKSR1, MAPK1, IRAK1 MAPK14 64/4885SRC 684/4885BRAF 122/4885
US-20090192164-A1 Treating agent of inflammatory bowel disease MAPK6, SLC10A2, MAP3K6 MAPK14 13/4885SRC 290/4885BRAF 1807/4885

“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.