SCHEMBL9909229

SCHEMBL9909229

NC(N)=NC(=O)c1ccc2nccc(-c3cccc(C(F)(F)F)c3F)c2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 11/20 0.46
SLC9A1 P19634 8/20 0.45
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2D6 P10635 2/20 0.42
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SLC9A2 Q9UBY0 1/20 0.41
CYP3A4 P08684 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
SCHEMBL9907810 0.85 HTR5A (0.53) HTR5ASLC9A1
SCHEMBL9907803 0.85 HTR5A (0.54) HTR5ASLC9A1
SCHEMBL9909198 0.85 KMO (0.43) CYP2C9
SCHEMBL9909300 0.81 HTR5A (0.46) HTR5ASLC9A1CYP2C9CYP2C19CYP2D6
SCHEMBL9909290 0.81 HTR5A (0.46) HTR5A
SCHEMBL9909206 0.81 HTT (0.48)
SCHEMBL9907839 0.81 HTR5A (0.53) HTR5ASLC9A1
SCHEMBL9909222 0.80 HTR5A (0.52) HTR5A
SCHEMBL9907807 0.80 HTR5A (0.47) HTR5A
SCHEMBL9907792 0.78 HTR5A (0.51) HTR5ASLC9A1

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 1/4885SLC9A1 1181/4885CYP2C9 597/4885

“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.