SCHEMBL2485827

SCHEMBL2485827

NC(N)=NC(=O)c1ccc2c(c1)C(=O)c1sccc1-2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 14/20 0.63
HTR7 P34969 12/20 0.63
DRD2 P14416 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
CES1 P23141 1/20 0.43
PABPC1 P11940 1/20 0.40
DNMT1 P26358 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
SCHEMBL12050179 0.89 HTR2B (0.63) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12050156 0.79 PTPRC (0.57) CES1PABPC1DNMT1
SCHEMBL4923552 0.78 HTR2B (1.00) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12050181 0.76 HTR2B (0.64) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL14087443 0.75 HTR2B (0.94) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL4920346 0.73 HTR2B (0.74) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL24573355 0.73 PTPRC (0.57) CES1PABPC1DNMT1
SCHEMBL12050184 0.72 HTR2B (0.68) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL12050183 0.71 HTR2B (0.60) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL6995480 0.71 S100A4 (0.53) HTR2BHTR7CES1PABPC1DNMT1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
EP-1923387-B1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2011-10-19 EP disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
EP-1923387-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
EP-1923387-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-05-21 EP 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-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF HTR2B, HTR7, HTR3B HTR2B 1/4885HTR7 2/4885DRD2 537/4885

“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.