SCHEMBL9909225

SCHEMBL9909225

COc1cc(F)c(-c2ccnc3ccc(C(=O)N=C(N)N)cc23)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 18/20 0.57
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL12874649 0.89 HTR5A (0.46) HTR5AKDM4EMAPK1NPSR1
SCHEMBL9907840 0.88 HTR5A (0.63) HTR5A
SCHEMBL9907788 0.88 HTR5A (0.69) HTR5A
SCHEMBL9907795 0.87 HTR5A (0.58) HTR5A
SCHEMBL9907834 0.84 HTR5A (0.61) HTR5A
SCHEMBL9909165 0.84 LMNA (0.49) HTR5AKDM4EMAPK1NPSR1
SCHEMBL9909219 0.83 HTR5A (0.45) HTR5A
SCHEMBL9909210 0.83 HTT (0.46) KDM4EMAPK1NPSR1
SCHEMBL12874631 0.81 HTR5A (0.52) HTR5A
SCHEMBL9907790 0.81 HTR5A (0.62) HTR5A

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 2 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

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 1/4885KDM4E 1474/4885MAPK1 3555/4885

“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.