SCHEMBL9907396

SCHEMBL9907396

COC(=O)c1ccc2ncc(C)c(-c3ccc(F)cc3F)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.52
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
TNF P01375 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
NR2F2 P24468 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
KLF5 Q13887 1/20 0.43
NOD1 Q9Y239 1/20 0.43
ALPL P05186 1/20 0.43
MAPK14 Q16539 2/20 0.42

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
SCHEMBL9907441 0.89 HTR5A (0.45) HTR5APIK3CDPIK3CAMTORMAPT
SCHEMBL9907442 0.89 HTR5A (0.48) HTR5APIK3CDPIK3CAMTORMAPT
SCHEMBL9103249 0.88 HTR5A (0.67) HTR5APIK3CDPIK3CAMTORMAPT
SCHEMBL9907444 0.87 HTR5A (0.47) HTR5APIK3CDPIK3CAMTORMAPT
SCHEMBL9907400 0.87 HTR5A (0.54) HTR5A
SCHEMBL9907357 0.87 MAPT (0.46) HTR5APIK3CDPIK3CAMTORMAPT
SCHEMBL9909179 0.86 HTR5A (0.49) HTR5APIK3CDPIK3CAMTORMAPT
SCHEMBL9907443 0.85 PIK3CA (0.53) PIK3CDPIK3CAMTORMAPTHTT
SCHEMBL9907397 0.82 CREBBP (0.45) HTR5APIK3CDPIK3CAMTORMAPT
SCHEMBL9907596 0.82 HTR5A (0.55) HTR5APIK3CDPIK3CAMTORMAPT

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 HTR5A 1/4885PIK3CD 2543/4885PIK3CA 3492/4885

“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.