SCHEMBL9909161

SCHEMBL9909161

COC(=O)c1ccc2ccnc(-c3ccc(C#N)cc3F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
IDH1 O75874 1/20 0.41
PLAU P00749 1/20 0.40
CTSA P10619 3/20 0.40
SCN9A Q15858 3/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
SLC22A12 Q96S37 2/20 0.39
EGLN1 Q9GZT9 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
EGLN2 Q96KS0 2/20 0.38
PRKDC P78527 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
TDP2 O95551 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
SCHEMBL9909227 0.87 SLC22A12 (0.47) PLAUCTSAKDM5AKDM5BSLC22A12
SCHEMBL9907366 0.84 KMO (0.44) PLAUALOX15HTT
SCHEMBL9909306 0.81 HTR5A (0.51) PLAU
SCHEMBL9907429 0.81 ALOX15 (0.37) CYP11B1CYP11B2IDH1SCN9AALOX15
SCHEMBL9909154 0.79 F10 (0.48) CYP11B1CYP11B2SCN9AALOX15HTT
SCHEMBL9909212 0.79 NR1H4 (0.40) PLAUSCN9AALOX15HTT
SCHEMBL9925448 0.76 HTR5A (0.52) CYP11B1CYP11B2CTSAEGLN1MRGPRX4
SCHEMBL9909251 0.76 CYP11B1 (0.39) CYP11B1CYP11B2SLC22A12EGLN1MRGPRX4
SCHEMBL9100686 0.76 HTT (0.44) CYP11B1CYP11B2KDM5AKDM5BALOX15
SCHEMBL12875031 0.76 ALOX15 (0.45) CYP11B1CYP11B2SCN9AALOX15HTT

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-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 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 CYP11B1 1230/4885CYP11B2 1061/4885IDH1 3406/4885

“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.