SCHEMBL9907787

SCHEMBL9907787

NC(N)=NC(=O)c1ccc2nccc(-c3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.49
HTR5A P47898 7/20 0.48
PLAU P00749 1/20 0.47
SLC9A1 P19634 1/20 0.46
HTR2B P41595 9/20 0.46
HTR7 P34969 7/20 0.46
DRD2 P14416 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL12874629 0.85 PIK3CA (0.49) PIK3CAHTR5APLAUSLC9A1
SCHEMBL9909205 0.84 HTR5A (0.42) HTR5ASLC9A1
SCHEMBL9907815 0.84 HTR5A (0.42) PIK3CAHTR5APLAUHTR2BHTR7
SCHEMBL9907817 0.84 HTR5A (0.53) HTR5ASLC9A1HTR2BHTR7DRD2
SCHEMBL9907326 0.82 PIK3CA (0.57) PIK3CA
SCHEMBL9909279 0.82 HTR5A (0.44) HTR5ASLC9A1
SCHEMBL9907801 0.81 HTR5A (0.54) HTR5ASLC9A1HTR2BHTR7
SCHEMBL9907794 0.81 HTR5A (0.45) HTR5APLAUHTR2BHTR7DRD2
SCHEMBL9909296 0.81 HTR5A (0.45) HTR5APLAUSLC9A1HTR2BHTR7
SCHEMBL9909209 0.81 HTR5A (0.49) HTR5ASLC9A1HTR2BHTR7DRD2

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 PIK3CA 3492/4885HTR5A 1/4885PLAU 3322/4885

“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.