SCHEMBL6029062

SCHEMBL6029062

CC(Cc1ccccc1)C(=O)c1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.52
SRC P12931 1/20 0.44
BRAF P15056 1/20 0.44
KDR P35968 1/20 0.44
EGFR P00533 1/20 0.42
RAF1 P04049 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
HDAC8 Q9BY41 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
RIPK3 Q9Y572 1/20 0.39

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
SCHEMBL6028765 0.80 MAPK14 (0.55) MAPK14SRCBRAFKDRGSK3B
SCHEMBL4336951 0.80 MAPK14 (0.52) MAPK14SRCBRAFKDREGFR
SCHEMBL6028093 0.79 MAPK14 (0.51) MAPK14SRCBRAFKDREGFR
SCHEMBL27492426 0.79 MAPK14 (0.53) MAPK14SRCBRAFKDREGFR
SCHEMBL6028700 0.79 MAPK14 (0.53) MAPK14ALDH1A1CSNK1DCSNK1E
SCHEMBL6028852 0.78 MAPK14 (0.50) MAPK14SRCBRAFKDREGFR
SCHEMBL6029564 0.78 MAPK14 (0.52) MAPK14SRCBRAFKDREGFR
SCHEMBL6028698 0.78 KDR (0.54) MAPK14SRCBRAFKDREGFR
SCHEMBL6028611 0.76 MAPK14 (0.59) MAPK14SRCBRAFKDREGFR
SCHEMBL6028485 0.74 L3MBTL1 (0.53) MAPK14ALDH1A1CYP3A4CSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1281604-C Substituted pyrazole compounds TEIKOKU HORMONE MFG CO LTD (JP) 2006-10-25 CN disclosed
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
CN-1560051-A Substituted pyrazole compounds �۹���ҩ��ʽ���� 2005-01-05 CN disclosed
CN-1178931-C Substituted pyrazole compounds �۹���ҩ��ʽ���� 2004-12-08 CN 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
CN-1353704-A Substituted pyrazole compounds TEIKOKU HORMONE MFG CO LTD (JP) 2002-06-12 CN 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.