SCHEMBL10275577

SCHEMBL10275577

N#Cc1ccc(C2=CC(=O)N3N=C(C(F)(F)F)C(c4ccc(F)cc4F)=CC3N2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
KDM1A O60341 2/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
AR P10275 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
KIF11 P52732 1/20 0.32
WDR5 P61964 1/20 0.32
NR3C2 P08235 4/20 0.31
KCNH2 Q12809 2/20 0.31
TACR1 P25103 1/20 0.31
ELANE P08246 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
SCHEMBL10275359 0.87 PDE3B (0.36) PDE3BPDE3AKDM1AGABRG2GABRB3
SCHEMBL10275729 0.86 KDM1A (0.37) PDE3BPDE3AKDM1AGABRG2GABRB3
SCHEMBL10275367 0.86 ALOX5AP (0.35) PDE3BPDE3AKDM1AGABRG2GABRB3
SCHEMBL10275790 0.85 KDM1A (0.37) PDE3BPDE3AKDM1AARALOX5AP
SCHEMBL10275429 0.83 PDE3B (0.33) PDE3BPDE3AKDM1AARALOX5AP
SCHEMBL10275431 0.83 PDE3B (0.33) PDE3BPDE3AKDM1AARALOX5AP
SCHEMBL10313715 0.81 PDE3B (0.34) PDE3BPDE3AKDM1AARALOX5AP
SCHEMBL10275691 0.80 PDE3B (0.35) PDE3BPDE3AKDM1AGABRG2GABRB3
SCHEMBL10276214 0.80 PDE3B (0.35) PDE3BPDE3AKDM1AGABRG2GABRB3
SCHEMBL10275787 0.80 ALOX5AP (0.34) PDE3BPDE3AKDM1AGABRG2GABRB3

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 3 patents. 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
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 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-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.