SCHEMBL6028641

SCHEMBL6028641

Cc1cccc(CCC(O)c2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.47
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
SRC P12931 2/20 0.41
BRAF P15056 2/20 0.41
KDR P35968 2/20 0.41
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
GSK3B P49841 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 1/20 0.36

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) MAPK14SRCBRAFKDREGFR
SCHEMBL6028663 0.86 MAPK14 (0.48) MAPK14CSNK1A1CSNK1DCSNK1ESRC
SCHEMBL6028803 0.84 MAPK14 (0.53) MAPK14SRCBRAFKDREGFR
SCHEMBL6029192 0.80 MAPK14 (0.47) MAPK14SRCBRAFKDRGSK3B
SCHEMBL4336360 0.80 MAPK14 (0.48) MAPK14CYP19A1
SCHEMBL6029979 0.77 MAPK14 (0.55) MAPK14SRCBRAFKDREGFR
SCHEMBL6028727 0.77 MAPK14 (0.55) MAPK14SRCBRAFKDREGFR
SCHEMBL6029427 0.77 MAPK14 (0.54) MAPK14SRCBRAFKDREGFR
SCHEMBL6030065 0.77 MAPK14 (0.54) MAPK14SRCBRAFKDREGFR
SCHEMBL6029098 0.77 MAPK14 (0.48) MAPK14CSNK1A1CSNK1DCSNK1ESRC

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 64/4885CSNK1A1 85/4885CSNK1D 234/4885

“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.