SCHEMBL9907914

SCHEMBL9907914

NC(N)=NC(=O)c1ccc2ccnc(-c3ccc(Cl)cc3Cl)c2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 11/20 0.55
HTR2B P41595 4/20 0.48
HTR7 P34969 3/20 0.46
SLC9A5 Q14940 1/20 0.44
PLAU P00749 1/20 0.43
CDC7 O00311 1/20 0.41
CCNT1 O60563 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CDK9 P50750 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
DBF4 Q9UBU7 1/20 0.41

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
SCHEMBL9907912 0.89 HTR5A (0.59) HTR5AHTR2BHTR7PLAU
SCHEMBL9907916 0.86 HTR2B (0.44) HTR5AHTR2BHTR7PLAU
SCHEMBL9909260 0.86 HTR2B (0.44) HTR5AHTR2BHTR7SLC9A5PLAU
SCHEMBL9907913 0.83 HTR5A (0.55) HTR5AHTR2BHTR7PLAU
SCHEMBL9907383 0.83 KDM4C (0.49) PLAUCDC7CCNT1CSNK2A2CCNE1
SCHEMBL9907971 0.83 HTR5A (0.71) HTR5AHTR2BHTR7SLC9A5
SCHEMBL9907911 0.81 HTR5A (0.60) HTR5AHTR2BHTR7PLAU
SCHEMBL9907791 0.81 HTR5A (0.53) HTR5AHTR2BHTR7
SCHEMBL7918294 0.80 HTR2B (0.51) HTR5AHTR2BHTR7
SCHEMBL9907946 0.80 HTR5A (0.84) HTR5AHTR2BHTR7

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 4 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

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 1/4885HTR2B 6/4885HTR7 18/4885

“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.