SCHEMBL6029472

SCHEMBL6029472

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1CCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.47
SRC P12931 3/20 0.45
BRAF P15056 3/20 0.45
KDR P35968 3/20 0.45
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
GSK3B P49841 1/20 0.41
CSNK1D P48730 2/20 0.39
CSNK1E P49674 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
CSNK1A1 P48729 1/20 0.38

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
SCHEMBL6028673 0.85 MAPK14 (0.52) MAPK14SRCBRAFKDREGFR
SCHEMBL6028318 0.83 SRC (0.55) MAPK14SRCBRAFKDRCSNK1D
SCHEMBL4333423 0.81 MAPK14 (0.61) MAPK14SRCBRAFKDREGFR
SCHEMBL6178119 0.79 MAPK14 (0.52) MAPK14SRCBRAFKDR
SCHEMBL6028037 0.79 MAPK14 (0.58) MAPK14SRCBRAFKDREGFR
SCHEMBL14411918 0.77 MAPK14 (0.57) MAPK14SRCBRAFKDREGFR
SCHEMBL6029688 0.76 MAPK14 (0.52) MAPK14SRCBRAFKDREGFR
SCHEMBL6028669 0.76 MAPK14 (0.54) MAPK14SRCBRAFKDREGFR
SCHEMBL4343316 0.75 MAPK14 (0.59) MAPK14SRCBRAFKDREGFR
SCHEMBL6028378 0.73 MAPK14 (0.51) 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 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.