SCHEMBL6028700

SCHEMBL6028700

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C(=O)NCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.53
GAA P10253 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
MAPK10 P53779 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.46
MAPK3 P27361 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGER4 P35408 1/20 0.44
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44
USP2 O75604 1/20 0.44

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 0.90 MAPK14 (0.55) MAPK14ALDH1A1KDM4EMAPK1MAPK3
SCHEMBL6028485 0.84 L3MBTL1 (0.53) MAPK14RAB9AALDH1A1ROCK2ROCK1
SCHEMBL6028850 0.82 MAPK14 (0.48) MAPK14MAPK10ALDH1A1ROCK2ROCK1
SCHEMBL6029439 0.81 SMN1; SMN2 (0.48) MAPK14RAB9ANPC1MAPK10ALDH1A1
SCHEMBL4336948 0.81 MAPK14 (0.47) MAPK14ALDH1A1ROCK2ROCK1SMN1; SMN2
SCHEMBL6028954 0.80 MAPK3 (0.48) MAPK14MAPK1MAPK3ROCK2ROCK1
SCHEMBL6028891 0.80 MAPT (0.50) MAPK14GAAALDH1A1ROCK2ROCK1
SCHEMBL6029062 0.79 MAPK14 (0.52) MAPK14ALDH1A1CSNK1DCSNK1E
SCHEMBL4336951 0.79 MAPK14 (0.52) MAPK14LMNA
SCHEMBL6028698 0.79 KDR (0.54) MAPK14NPC1ALDH1A1MAPK1ROCK2

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 64/4885GAA 3817/4885RAB9A 1273/4885

“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.