SCHEMBL7909266

SCHEMBL7909266

N#Cc1ccc(-c2cccc3ccc(C(=O)N=C(N)N)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.49
SLC22A12 Q96S37 1/20 0.48
SLC9A1 P19634 4/20 0.47
HTR2B P41595 9/20 0.43
HTR7 P34969 8/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 1/20 0.42
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
PARP1 P09874 1/20 0.40
HTR5A P47898 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
SCHEMBL16503483 0.88 IRAK4 (0.45) IRAK4SLC22A12SLC9A1CYP2C9CYP2C19
SCHEMBL16502794 0.86 SLC9A1 (0.45) SLC9A1HTR2BHTR7CYP2C9CYP2C19
SCHEMBL7923246 0.85 SLC9A1 (0.55) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL16502766 0.84 SLC9A1 (0.44) SLC9A1HTR2BHTR7CYP2C9CYP2C19
SCHEMBL16502722 0.84 HTR2B (0.45) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL7920216 0.84 HTR5A (0.47) SLC9A1HTR2BHTR7CYP2C9CYP2C19
SCHEMBL7920144 0.84 SLC9A1 (0.58) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL7919392 0.84 SLC9A1 (0.50) SLC9A1HTR2BHTR7DRD2ADRA1D
SCHEMBL16502837 0.83 HTR5A (0.43) SLC22A12SLC9A1HTR2BHTR7CYP2C9
SCHEMBL16502844 0.83 HTR5A (0.48) SLC9A1HTR2BHTR7HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 IRAK4 3218/4885SLC22A12 1344/4885SLC9A1 1256/4885

“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.