SCHEMBL9907904

SCHEMBL9907904

NC(N)=NC(=O)c1ccc2ccnc(-c3ccccc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.50
PLG P00747 1/20 0.49
HTR5A P47898 10/20 0.47
SLC9A1 P19634 1/20 0.44
HTR2B P41595 3/20 0.43
HTR7 P34969 2/20 0.43

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
SCHEMBL12874632 0.85 PLAU (0.46) PLAUPLGHTR5A
SCHEMBL9907335 0.82 PLAU (0.55) PLAUPLG
SCHEMBL16502809 0.81 HTR5A (0.53) PLAUHTR5ASLC9A1HTR2BHTR7
SCHEMBL9907911 0.81 HTR5A (0.60) PLAUHTR5ASLC9A1HTR2BHTR7
SCHEMBL9907943 0.81 HTR5A (0.69) PLAUHTR5ASLC9A1HTR2BHTR7
SCHEMBL9909261 0.80 HTR5A (0.49) PLAUHTR5ASLC9A1HTR2BHTR7
SCHEMBL9907915 0.80 HTR5A (0.49) PLAUHTR5ASLC9A1HTR2BHTR7
SCHEMBL9907784 0.79 HTR5A (0.65) PLAUHTR5ASLC9A1
SCHEMBL9907913 0.79 HTR5A (0.55) PLAUHTR5ASLC9A1HTR2BHTR7
Hydrochloric Acid SCHEMBL9105803 0.78 HTR5A (0.64) PLAUHTR5AHTR2BHTR7

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 PLAU 3322/4885PLG 3328/4885HTR5A 1/4885

“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.