SCHEMBL10275367

SCHEMBL10275367

N#Cc1ccc(C2=CC(=O)N3N=C(c4ccccc4)C(c4ccc(F)cc4F)=CC3N2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.35
FEN1 P39748 3/20 0.35
ADORA1 P30542 2/20 0.34
ADORA2A P29274 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
NR3C2 P08235 7/20 0.34
KDM1A O60341 1/20 0.34
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
AR P10275 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRA2 P47869 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
SCHEMBL10275577 0.86 PDE3B (0.35) ALOX5APFEN1PDE3BPDE3ANR3C2
SCHEMBL10275282 0.86 BACE1 (0.35) ALOX5APFEN1PDE3BPDE3A
SCHEMBL10275359 0.86 PDE3B (0.36) ALOX5APFEN1PDE3BPDE3ANR3C2
SCHEMBL10275787 0.84 ALOX5AP (0.34) ALOX5APFEN1ADORA1ADORA2APDE3B
SCHEMBL10275785 0.84 ALOX5AP (0.34) ALOX5APFEN1ADORA1ADORA2APDE3B
SCHEMBL10275729 0.84 KDM1A (0.37) ALOX5APFEN1PDE3BPDE3ANR3C2
SCHEMBL10275790 0.84 KDM1A (0.37) ALOX5APFEN1PDE3BPDE3ANR3C2
SCHEMBL10313715 0.80 PDE3B (0.34) ALOX5APFEN1PDE3BPDE3ANR3C2
SCHEMBL10276214 0.79 PDE3B (0.35) ALOX5APFEN1PDE3BPDE3ANR3C2
SCHEMBL10275691 0.79 PDE3B (0.35) ALOX5APFEN1PDE3BPDE3ANR3C2

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-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
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 ALOX5AP 1631/4885FEN1 1832/4885ADORA1 11/4885

“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.