SCHEMBL6029317

SCHEMBL6029317

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1COCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.51
SRC P12931 1/20 0.46
BRAF P15056 1/20 0.46
KDR P35968 1/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
GSK3B P49841 2/20 0.44
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
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
GCGR P47871 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
SCHEMBL6029621 0.94 MAPK14 (0.53) MAPK14SRCBRAFKDRCYP11B1
SCHEMBL6028029 0.90 MAPK14 (0.54) MAPK14SRCBRAFKDRGSK3B
SCHEMBL6028037 0.84 MAPK14 (0.58) MAPK14SRCBRAFKDRGSK3B
SCHEMBL4333423 0.84 MAPK14 (0.61) MAPK14SRCBRAFKDRGSK3B
SCHEMBL6028660 0.80 MAPK14 (0.53) MAPK14SRCBRAFKDRCYP11B1
SCHEMBL6029312 0.79 MAPK14 (0.51) MAPK14SRCBRAFKDRGSK3B
SCHEMBL27492426 0.78 MAPK14 (0.53) MAPK14SRCBRAFKDRGSK3B
SCHEMBL6029564 0.77 MAPK14 (0.52) MAPK14SRCBRAFKDRGSK3B
SCHEMBL6028611 0.77 MAPK14 (0.59) MAPK14SRCBRAFKDRGSK3B
SCHEMBL6029418 0.75 MAPK14 (0.52) MAPK14SRCBRAFKDRGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-20040087628-A1 Substituted pyrazole compounds CNKSR1, MAPK1, IRAK1 MAPK14 64/4885SRC 684/4885BRAF 122/4885

“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.