SCHEMBL9909256

SCHEMBL9909256

COC(=O)c1ccc2ncc(Cl)c(-c3ccc(OC)cc3F)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.54
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
CTSA P10619 1/20 0.40
GRM2 Q14416 3/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
AMY1A P0DUB6 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
CSNK2A1 P68400 2/20 0.38
TP53 P04637 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
SCHEMBL9909270 0.90 HTR5A (0.55) HTR5APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL9909273 0.90 HTR5A (0.44) HTR5ACA1CA2CSNK2A1TP53
SCHEMBL9103249 0.89 HTR5A (0.67) HTR5ACSNK2A1HTT
SCHEMBL9907595 0.88 HTR5A (0.55) HTR5ACSNK2A1TP53PAX8ALOX15
SCHEMBL9907491 0.86 HTR5A (0.52) HTR5ATP53ALOX15HTT
SCHEMBL9909248 0.85 HTR5A (0.77) HTR5AGRM2
SCHEMBL9907602 0.85 HTR5A (0.52) HTR5ACSNK2A1TP53PAX8ALOX15
SCHEMBL9925448 0.85 HTR5A (0.52) HTR5ACTSACSNK2A1TP53
SCHEMBL9907994 0.84 HTR5A (0.53) HTR5APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL9907580 0.84 HTR5A (0.50) HTR5ACSNK2A1TP53PAX8ALOX15

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 3 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-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 1/4885PRKAB2 3158/4885PRKAG1 1661/4885

“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.