SCHEMBL9907994

SCHEMBL9907994

COC(=O)c1ccc2c(Cl)cnc(-c3ccc(OC)cc3F)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 6/20 0.53
RORC P51449 1/20 0.42
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
GRM2 Q14416 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
CTSA P10619 1/20 0.38
CSNK2A1 P68400 2/20 0.38
NEK1 Q96PY6 1/20 0.37
USP7 Q93009 1/20 0.37
MEN1 O00255 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
SCHEMBL9907995 0.90 HTR5A (0.54) HTR5ARORCPRKAB2PRKAG1PRKAA2
SCHEMBL9908000 0.90 HTR5A (0.47) HTR5APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL9909276 0.90 HTR5A (0.43) HTR5ACA1CA2CSNK2A1NEK1
SCHEMBL9907714 0.89 HTR5A (0.55) HTR5ARORCCSNK2A1MEN1MAPT
SCHEMBL9907731 0.89 HTR5A (0.67) HTR5ARORCCSNK2A1MAPT
SCHEMBL9907759 0.88 HTR5A (0.54) HTR5ARORCCSNK2A1MEN1MAPT
SCHEMBL9908001 0.87 HTR5A (0.53) HTR5APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL9907998 0.87 HTR5A (0.52) HTR5ACA1CA2CTSACSNK2A1
SCHEMBL9907744 0.86 HTR5A (0.52) HTR5ARORCCSNK2A1MEN1MAPT
SCHEMBL9907674 0.85 HTR5A (0.52) HTR5ARORCCSNK2A1MEN1MAPT

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 6 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
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP 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

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 1/4885RORC 3704/4885PRKAB2 3158/4885

“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.