SCHEMBL10276352

SCHEMBL10276352

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
KDM1A O60341 1/20 0.34
AR P10275 1/20 0.33
KIF11 P52732 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
TDP2 O95551 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL10276696 0.88 KIF11 (0.34) PDE3BPDE3AKDM1AARKIF11
SCHEMBL10275642 0.87 PDE3B (0.37) PDE3BPDE3AKDM1AARGABRA1
SCHEMBL10276009 0.86 PDE3B (0.36) PDE3BPDE3AKDM1AARGABRA1
SCHEMBL10276335 0.85 PDE3B (0.36) PDE3BPDE3AKDM1AARGABRA1
SCHEMBL10276411 0.79 APP (0.36) PDE3BPDE3ATDP2ALOX5APFEN1
SCHEMBL10275483 0.78 ALOX5AP (0.34) PDE3BPDE3AKIF11TDP2ALOX5AP
SCHEMBL10275936 0.77 BACE1 (0.34) PDE3BPDE3ATDP2ALOX5APFEN1
SCHEMBL10275420 0.75 KIF11 (0.40) KDM1AKIF11
SCHEMBL10275775 0.73 ALOX5AP (0.33) PDE3BPDE3ATDP2ALOX5APFEN1
SCHEMBL10276045 0.73 APP (0.35) ARTDP2CYP2C19

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 PDE3B 2361/4885PDE3A 2182/4885KDM1A 3996/4885

“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.