SCHEMBL9909232

SCHEMBL9909232

COC(=O)c1ccc2ncc(Cl)c(-c3ccc(C#N)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
PDE5A O76074 2/20 0.41
PLAU P00749 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AR P10275 1/20 0.39
CSNK2A1 P68400 1/20 0.39
MAP4K4 O95819 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
TNIK Q9UKE5 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
TP53 P04637 1/20 0.39
RHEB Q15382 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
XDH P47989 1/20 0.38
PAX8 Q06710 1/20 0.38
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
NR1H2 P55055 1/20 0.38

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
SCHEMBL9909267 0.86 SLC22A12 (0.52) EGLN2MRGPRX4PLAUARMAP4K4
SCHEMBL9907564 0.86 TDP1 (0.45) TDP1CSNK2A1CSNK2A2CSNK2BTP53
SCHEMBL9909182 0.85 CA1 (0.47) CSNK2A1RHEBALOX15HTT
SCHEMBL9907498 0.85 PIK3CD (0.50) CSNK2A1CSNK2A2CSNK2BTP53RHEB
SCHEMBL9907499 0.85 PLA2G2A (0.48) PDE5ATP53PAX8NR1H2NR1H3
SCHEMBL9925448 0.84 HTR5A (0.52) EGLN2MRGPRX4PDE5ACSNK2A1TP53
SCHEMBL9909169 0.84 PDE5A (0.45) MRGPRX4PDE5APLAU
SCHEMBL9907566 0.82 CSNK2A1 (0.39) CSNK2A1CSNK2A2CSNK2BTP53RHEB
SCHEMBL16502631 0.81 PLAU (0.47) EGLN2MRGPRX4PLAUARRHEB
SCHEMBL12875082 0.81 HTR5A (0.50) PLAUMAP4K4MINK1TNIKSLC22A12

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
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E EGLN2 4832/4885MRGPRX4 1163/4885PDE5A 82/4885

“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.