SCHEMBL6029008

SCHEMBL6029008

CCN(Cc1ccccn1)C(=O)c1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MAPK14 Q16539 8/20 0.40
RIPK3 Q9Y572 1/20 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
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
KCNH2 Q12809 1/20 0.39
SRC P12931 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
NAMPT P43490 1/20 0.37
RECQL P46063 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL6029308 0.90 TACR1 (0.41) SMN1; SMN2MAPK14RIPK3EGFRRAF1
SCHEMBL4336708 0.88 SMN1; SMN2 (0.48) SMN1; SMN2MAPK14SRCBRAFKDR
SCHEMBL6741370 0.82 MAPK14 (0.42) SMN1; SMN2MAPK14EGFRRAF1ADORA3
SCHEMBL6029490 0.81 SMN1; SMN2 (0.47) SMN1; SMN2MAPK14NAMPT
SCHEMBL6029540 0.81 MAPK14 (0.46) SMN1; SMN2MAPK14SRCBRAFKDR
SCHEMBL4340894 0.79 MAPK14 (0.46) SMN1; SMN2MAPK14EGFRRAF1ADORA3
SCHEMBL6029234 0.79 MAPK14 (0.47) MAPK14RIPK3EGFRRAF1ADORA3
SCHEMBL6028852 0.77 MAPK14 (0.50) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL6177634 0.77 MAPK14 (0.49) MAPK14RIPK3EGFRRAF1ADORA3
SCHEMBL6177631 0.73 MAPK14 (0.42) SMN1; SMN2MAPK14EGFRRAF1ADORA3

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 SMN1; SMN2 4543/4885MAPK14 64/4885RIPK3 624/4885

“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.