SCHEMBL6029192

SCHEMBL6029192

Cn1nc(-c2ccc(F)c(F)c2)c(-c2ccncc2)c1C(O)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.47
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
S1PR3 Q99500 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
SRC P12931 1/20 0.34
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34
ROCK2 O75116 1/20 0.34
RPS6KA5 O75582 1/20 0.34
RPS6KA4 O75676 1/20 0.34
PRKACA P17612 1/20 0.34
MAPK1 P28482 1/20 0.34
GSK3B P49841 1/20 0.34
PRKX P51817 1/20 0.34

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
SCHEMBL4338012 0.89 MAPK14 (0.57) MAPK14SRCBRAFKDRGSK3B
SCHEMBL6028803 0.84 MAPK14 (0.53) MAPK14SRCBRAFKDRGSK3B
SCHEMBL6028641 0.80 MAPK14 (0.47) MAPK14SRCBRAFKDRGSK3B
SCHEMBL6028663 0.80 MAPK14 (0.48) MAPK14SRCBRAFKDRGSK3B
SCHEMBL6028903 0.79 MAPK14 (0.47) MAPK14CYP17A1CYP11B1CYP11B2SRC
SCHEMBL6029979 0.77 MAPK14 (0.55) MAPK14SRCBRAFKDRGSK3B
SCHEMBL6028727 0.77 MAPK14 (0.55) MAPK14SRCBRAFKDRGSK3B
SCHEMBL6029427 0.76 MAPK14 (0.54) MAPK14SRCBRAFKDRGSK3B
SCHEMBL6030065 0.76 MAPK14 (0.54) MAPK14SRCBRAFKDRGSK3B
SCHEMBL6028093 0.72 MAPK14 (0.51) 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 64/4885HTR7 2140/4885HTR6 1518/4885

“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.