SCHEMBL9909290

SCHEMBL9909290

NC(N)=NC(=O)c1ccc2nccc(-c3ccc(F)c(C(F)(F)F)c3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 15/20 0.46
KMO O15229 1/20 0.42
RIPK1 Q13546 1/20 0.41
AAK1 Q2M2I8 2/20 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
SCHEMBL9909300 0.92 HTR5A (0.46) HTR5A
SCHEMBL9907819 0.85 HTR5A (0.53) HTR5A
SCHEMBL9909223 0.85 KMO (0.52) KMORIPK1AAK1
SCHEMBL9907820 0.83 HTR5A (0.53) HTR5AKMO
SCHEMBL9909279 0.83 HTR5A (0.44) HTR5A
SCHEMBL9907807 0.82 HTR5A (0.47) HTR5A
SCHEMBL9909229 0.81 HTR5A (0.46) HTR5A
SCHEMBL9909221 0.81 AAK1 (0.43) KMORIPK1AAK1
SCHEMBL9909222 0.80 HTR5A (0.52) HTR5A
SCHEMBL9907795 0.79 HTR5A (0.58) 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 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 1/4885KMO 559/4885RIPK1 2442/4885

“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.