SCHEMBL7919732

SCHEMBL7919732

NC(N)=NC(=O)c1ccc2cccc(-c3cccc4ncccc34)c2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.47
HTR5A P47898 8/20 0.45
HTR2B P41595 7/20 0.43
HTR7 P34969 5/20 0.43
SLC9A2 Q9UBY0 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL7908704 0.94 HTR5A (0.47) SLC9A1HTR5AHTR2BHTR7DRD2
SCHEMBL16502784 0.87 SLC9A1 (0.48) SLC9A1HTR5AHTR2BHTR7DRD2
SCHEMBL16502743 0.86 HTR5A (0.50) SLC9A1HTR5AHTR2BHTR7DRD2
SCHEMBL16502774 0.86 HTR5A (0.50) SLC9A1HTR5AHTR2BHTR7DRD2
SCHEMBL7909267 0.86 HTR5A (0.47) SLC9A1HTR5AHTR2BHTR7DRD2
SCHEMBL7919834 0.85 SLC9A1 (0.56) SLC9A1HTR5AHTR2BHTR7DRD2
SCHEMBL7918359 0.83 SLC9A1 (0.44) SLC9A1HTR5AHTR2BHTR7DRD2
SCHEMBL7921982 0.83 HTR5A (0.45) SLC9A1HTR5AHTR2BHTR7DRD2
SCHEMBL16502597 0.82 CYP3A4 (0.45)
SCHEMBL16502849 0.82 HTR5A (0.48) SLC9A1HTR5AHTR2BHTR7DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US claimed
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP claimed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
US-20110306621-A1 ACYLGUANIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2011-12-15 US disclosed
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP disclosed
EP-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP disclosed
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 WO 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-20110306621-A1 ACYLGUANIDINE DERIVATIVES HTR5A, HTR2A, HTR1A SLC9A1 1256/4885HTR5A 1/4885HTR2B 5/4885

“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.