SCHEMBL10275939

SCHEMBL10275939

Cc1nn2c(c1-c1ccc(F)cc1F)C(c1ccc(N)cc1)=NC2=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
OPRM1 P35372 1/20 0.37
PTGS2 P35354 1/20 0.34
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
ALK Q9UM73 3/20 0.33
CYP1A2 P05177 1/20 0.33
ADORA2A P29274 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NTRK2 Q16620 1/20 0.32
KIT P10721 1/20 0.31
SLC34A1 Q06495 1/20 0.31
HIF1A Q16665 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
SCHEMBL10313507 0.91 PGR (0.40) PGRNR3C2OPRM1PTGS2PDE3B
SCHEMBL10275622 0.87 PDE4A (0.38) PGRNR3C2OPRM1NPC1LMNA
SCHEMBL10275596 0.87 PGR (0.38) PGRNR3C2OPRM1PTGS2PDE3B
SCHEMBL10275390 0.86 AR (0.37) PGRNR3C2OPRM1PDE3BPDE3A
SCHEMBL10275321 0.82 OPRM1 (0.39) PGRNR3C2OPRM1PTGS2PDE3B
SCHEMBL10313545 0.82 PGR (0.42) PGRNR3C2OPRM1PTGS2PDE3B
SCHEMBL10275277 0.80 MEN1 (0.38) PGRNR3C2OPRM1PTGS2MEN1
SCHEMBL10276114 0.78 PGR (0.39) PGRNR3C2OPRM1PDE3BPDE3A
SCHEMBL10313574 0.78 PDE4A (0.38) PGRNR3C2PTGS2PDE3BPDE3A
SCHEMBL10275213 0.74 APP (0.36) PTGS2PDE3BPDE3ACYP1A2

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 PGR 3472/4885NR3C2 1731/4885OPRM1 346/4885

“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.