SCHEMBL10313545

SCHEMBL10313545

Cc1ccc(-c2c(C)nn3c2C(c2ccc(F)cc2F)=NC3=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.42
NR3C2 P08235 3/20 0.42
OPRM1 P35372 1/20 0.38
AR P10275 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
CYP2D6 P10635 1/20 0.34
PTGS2 P35354 1/20 0.33
SRC P12931 1/20 0.33
BRAF P15056 1/20 0.33

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) PGRNR3C2OPRM1ARMEN1
SCHEMBL10276114 0.89 PGR (0.39) PGRNR3C2OPRM1NPC1RAB9A
SCHEMBL10275939 0.82 PGR (0.39) PGRNR3C2OPRM1MEN1KMT2A
SCHEMBL10313544 0.81 OPRM1 (0.41) PGRNR3C2OPRM1ARMEN1
SCHEMBL10313488 0.81 ALDH1A1 (0.34) OPRM1MEN1KMT2ANPC1RAB9A
SCHEMBL10313574 0.80 PDE4A (0.38) PGRNR3C2ARMEN1KMT2A
SCHEMBL10275596 0.80 PGR (0.38) PGRNR3C2OPRM1NPC1RAB9A
SCHEMBL10275622 0.80 PDE4A (0.38) PGRNR3C2OPRM1ARNPC1
SCHEMBL10275390 0.79 AR (0.37) PGRNR3C2OPRM1ARPDE3B
SCHEMBL10313530 0.74 CNR1 (0.37) LMNAPDE3BPDE3ACYP2D6PTGS2

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 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.