SCHEMBL9907419

SCHEMBL9907419

COC(=O)c1cc(C)c2nccc(-c3ccc(F)cc3Cl)c2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
TOP2A P11388 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
SCN9A Q15858 1/20 0.37
ACLY P53396 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
MAPK11 Q15759 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
MAP2K4 P45985 1/20 0.36
CYP17A1 P05093 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
TP53 P04637 1/20 0.36
HTR5A P47898 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
SCHEMBL9907474 0.91 MAPK14 (0.41) MAPK14ROCK2ROCK1TOP2ASCN9A
SCHEMBL9907431 0.89 MAPK14 (0.51) MAPK14TOP2AMAP2K4MAPT
SCHEMBL9907455 0.89 ALPL (0.44) ACLYMAP2K4MAPT
SCHEMBL9907493 0.89 CYP46A1 (0.39) CDC7DBF4MAPTCYP1A2
SCHEMBL9907428 0.87 MAPK14 (0.43) MAPK14ROCK2ROCK1TOP2AGSK3A
SCHEMBL9909259 0.87 CDC7 (0.38) CDC7DBF4MAPTCYP1A2TP53
SCHEMBL9907483 0.85 MAPK14 (0.37) MAPK14ACLYMAPTHTR5A
SCHEMBL9907488 0.84 MAPK14 (0.41) MAPK14GSK3AGSK3BMAP2K4MAPT
SCHEMBL9907557 0.84 TP53 (0.41) MAPK14ROCK2ROCK1ACLYMAPK11
SCHEMBL9907509 0.83 MRGPRX4 (0.40) MAPK14SCN9AGPBAR1MAP2K4MAPT

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 WO 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E MAPK14 3810/4885ROCK2 658/4885ROCK1 554/4885

“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.