SCHEMBL7916007

SCHEMBL7916007

Cc1ccc2ccc(C(=O)N=C(N)N)cc2c1-c1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.41
SLC22A12 Q96S37 2/20 0.40
SLC9A1 P19634 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
NSD2 O96028 1/20 0.40
HTR7 P34969 2/20 0.39
HTR2B P41595 2/20 0.39
GRM2 Q14416 1/20 0.38
MYC P01106 1/20 0.37
MAP2 P11137 1/20 0.37

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
SCHEMBL7909269 0.87 HTR5A (0.45) HTR5ASLC22A12SLC9A1CYP3A4CYP2C9
SCHEMBL7908713 0.87 HTR5A (0.41) HTR5ASLC22A12SLC9A1CYP3A4CYP2C9
SCHEMBL7916799 0.84 HTR5A (0.51) HTR5ASLC9A1HTR7HTR2B
SCHEMBL16502456 0.84 SLC22A12 (0.56) SLC22A12NSD2GRM2MYCMAP2
SCHEMBL7916802 0.82 HTR5A (0.42) HTR5ASLC9A1HTR7HTR2B
SCHEMBL7909266 0.81 IRAK4 (0.49) HTR5ASLC22A12SLC9A1CYP3A4CYP2C9
SCHEMBL16502434 0.81 PLAU (0.47) SLC22A12CYP3A4
SCHEMBL16502800 0.80 HTR5A (0.42) HTR5AHTR7HTR2B
SCHEMBL16502766 0.80 SLC9A1 (0.44) HTR5ASLC9A1CYP3A4CYP2C9CYP2C19
SCHEMBL10030463 0.78 HTR7 (0.38) HTR5ASLC9A1CYP3A4CYP2C9CYP2C19

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-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
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 HTR5A 1/4885SLC22A12 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.