SCHEMBL10276696

SCHEMBL10276696

N#Cc1ccc(C2=CC(=O)C3=NCC(c4ccc(C(F)(F)F)cc4)=C(c4ccc(F)cc4F)N3N2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ALOX5AP P20292 7/20 0.34
FEN1 P39748 7/20 0.34
MAOB P27338 2/20 0.33
RIPK3 Q9Y572 1/20 0.32
KDM1A O60341 5/20 0.32
AR P10275 1/20 0.32
RORC P51449 1/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL10276335 0.91 PDE3B (0.36) PDE3BPDE3AALOX5APFEN1KDM1A
SCHEMBL10275936 0.90 BACE1 (0.34) PDE3BPDE3AALOX5APFEN1
SCHEMBL10276352 0.88 PDE3B (0.36) KIF11PDE3BPDE3AALOX5APFEN1
SCHEMBL10275642 0.84 PDE3B (0.37) PDE3BPDE3AALOX5APFEN1KDM1A
SCHEMBL10276411 0.83 APP (0.36) PDE3BPDE3AALOX5APFEN1
SCHEMBL10276009 0.83 PDE3B (0.36) PDE3BPDE3AKDM1AARKCNH2
SCHEMBL10275483 0.82 ALOX5AP (0.34) KIF11PDE3BPDE3AALOX5APFEN1
SCHEMBL10275420 0.80 KIF11 (0.40) KIF11MAOBKDM1ADGAT1SOAT1
SCHEMBL10275775 0.78 ALOX5AP (0.33) PDE3BPDE3AALOX5APFEN1
SCHEMBL10275697 0.72 PDE3B (0.34) PDE3BPDE3AALOX5APFEN1

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 KIF11 4069/4885PDE3B 2361/4885PDE3A 2182/4885

“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.