SCHEMBL9909251

SCHEMBL9909251

COC(=O)c1ccc2ncc(I)c(-c3ccc(C#N)cc3F)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HTR5A P47898 1/20 0.39
EGLN1 Q9GZT9 4/20 0.38
PRKDC P78527 2/20 0.37
KDR P35968 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
GSK3B P49841 1/20 0.37
KCNH2 Q12809 1/20 0.37
ATM Q13315 1/20 0.37
ATR Q13535 1/20 0.37
PDE5A O76074 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
EGLN2 Q96KS0 2/20 0.36
SLC22A12 Q96S37 2/20 0.36
PAX8 Q06710 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9925448 0.88 HTR5A (0.52) CYP11B1CYP11B2HTR5AEGLN1PRKDC
SCHEMBL9909252 0.85 MAPT (0.41) HTR5APIK3CAMTORATMPAX8
SCHEMBL9909271 0.79 KDM4E (0.44) HTR5APIK3CAMTORPAX8KDM4E
SCHEMBL9909161 0.76 CYP11B1 (0.41) CYP11B1CYP11B2EGLN1PRKDCMRGPRX4
SCHEMBL9909169 0.76 PDE5A (0.45) HTR5AEGLN1PDE5AMRGPRX4KDM4E
SCHEMBL9909253 0.75 HTR5A (0.55) CYP11B1CYP11B2HTR5AEGLN1PRKDC
SCHEMBL9907396 0.75 HTR5A (0.52) HTR5APIK3CAMTORPAX8KDM4E
SCHEMBL9909232 0.74 EGLN2 (0.44) PDE5AMRGPRX4EGLN2SLC22A12PAX8
SCHEMBL9103249 0.74 HTR5A (0.67) HTR5APIK3CAMTORKDM4ESMN1; SMN2
SCHEMBL9907595 0.73 HTR5A (0.55) HTR5APIK3CAMTORATMPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US 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 CYP11B1 1230/4885CYP11B2 1061/4885HTR5A 1/4885

“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.