SCHEMBL9907939

SCHEMBL9907939

NC(N)=NC(=O)c1ccc2c(Cl)cnc(-c3ccccc3F)c2c1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 16/20 0.81
HTR7 P34969 3/20 0.43
HTR2B P41595 3/20 0.43
SLC9A1 P19634 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL9907947 0.91 HTR5A (0.78) HTR5AHTR7HTR2BSLC9A1
SCHEMBL9908032 0.90 HTR5A (0.77) HTR5AHTR7HTR2B
SCHEMBL9907933 0.90 HTR5A (0.81) HTR5AHTR7HTR2BSLC9A1
SCHEMBL9104223 0.90 HTR5A (1.00) HTR5AHTR7HTR2BSLC9A1DRD2
SCHEMBL9908040 0.89 HTR5A (0.76) HTR5AHTR7HTR2B
SCHEMBL9908030 0.89 HTR5A (0.75) HTR5AHTR7HTR2B
SCHEMBL9907956 0.88 HTR5A (0.84) HTR5AHTR7HTR2B
SCHEMBL9105024 0.88 HTR5A (1.00) HTR5ASLC9A1
SCHEMBL9907981 0.88 HTR5A (0.73) HTR5AHTR7HTR2BSLC9A1
SCHEMBL9907974 0.88 HTR5A (0.84) 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 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 1/4885HTR7 18/4885HTR2B 6/4885

“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.