SCHEMBL10276364

SCHEMBL10276364

Cc1nn2c(=O)c(C)c(-c3ccc(F)cc3F)n(C)c2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
PDE2A O00408 4/20 0.37
HSD11B1 P28845 3/20 0.35
TDP2 O95551 1/20 0.35
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
APP P05067 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 1/20 0.34
PDE5A O76074 1/20 0.34
NR1D1 P20393 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PLAT P00750 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL10275794 0.92 PDE2A (0.39) PGRNR3C2PDE2AHSD11B1TDP2
SCHEMBL10313536 0.90 PGR (0.42) PGRNR3C2MAPTTHRBKDM4E
SCHEMBL10276366 0.86 HSD11B1 (0.44) PGRNR3C2HSD11B1THRB
SCHEMBL10275255 0.85 PDE2A (0.45) PDE2ATDP2MAPTKDM4ENPC1
SCHEMBL10275666 0.83 MAPT (0.38) PGRNR3C2PDE2AHSD11B1TDP2
SCHEMBL10276461 0.83 PDE2A (0.34) PGRNR3C2PDE2AHSD11B1TDP2
SCHEMBL10275439 0.82 KDM4E (0.40) PGRNR3C2PDE2AHSD11B1TDP2
SCHEMBL10313509 0.82 PDE2A (0.43) PDE2ATDP2MAPTKDM4ENPC1
SCHEMBL10275518 0.80 PDE2A (0.37) PDE2ATDP2MAPTKDM4ENPC1
SCHEMBL10276117 0.80 CNR1 (0.41) PDE2ATDP2KDM4ENPC1HSP90AA1

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 2 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
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 1731/4885PDE2A 3531/4885

“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.