SCHEMBL6029068

SCHEMBL6029068

Cc1ccccc1CNC(=O)c1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
MAPK14 Q16539 8/20 0.43
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SCN10A Q9Y5Y9 2/20 0.39
NAMPT P43490 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
ALDH1A1 P00352 2/20 0.39
EGFR P00533 1/20 0.39
RAF1 P04049 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
GSK3B P49841 1/20 0.39
HPGD P15428 2/20 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
SCHEMBL6028826 0.93 MAPK14 (0.43) HDAC6MAPK14MAPK13MAPK12MAPK11
SCHEMBL4340891 0.91 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11SMN1; SMN2
SCHEMBL4336948 0.89 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6029303 0.87 ROCK2 (0.48) HDAC6MAPK14MAPK13MAPK12MAPK11
SCHEMBL6029537 0.85 MAPK14 (0.42) HDAC6MAPK14MAPK13MAPK12MAPK11
SCHEMBL4336706 0.83 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11ROCK2
SCHEMBL6029791 0.80 MAPK14 (0.49) MAPK14ROCK2ROCK1ALDH1A1GSK3B
SCHEMBL6028850 0.80 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11NAMPT
SCHEMBL6028954 0.79 MAPK3 (0.48) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6028798 0.78 MAPK1 (0.49) MAPK14ROCK2ROCK1ALDH1A1GSK3B

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 HDAC6 2544/4885MAPK14 64/4885MAPK13 79/4885

“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.