SCHEMBL10276461

SCHEMBL10276461

CCc1nn2c(=O)c(C)c(-c3ccc(C(F)(F)F)cc3)n(C)c2c1-c1ccc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.34
PDE5A O76074 1/20 0.34
GRM4 Q14833 2/20 0.33
GRM8 O00222 1/20 0.33
GRM7 Q14831 1/20 0.33
TDP2 O95551 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
NR1D1 P20393 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RAB9A P51151 1/20 0.32
APP P05067 1/20 0.32
HEXA P06865 1/20 0.32
HEXB P07686 1/20 0.32
HSD11B1 P28845 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
SCHEMBL10275794 0.89 PDE2A (0.39) PDE2APDE5ATDP2PGRNR3C2
SCHEMBL10275294 0.86 KDM1A (0.37) PGRNR3C2KDM4E
SCHEMBL10275439 0.84 KDM4E (0.40) PDE2ATDP2PGRNR3C2KDM4E
SCHEMBL10275351 0.83 RAD51 (0.35) GRM4GRM8GRM7NPC1RAB9A
SCHEMBL10276364 0.83 PGR (0.40) PDE2APDE5ATDP2PGRNR3C2
SCHEMBL10275393 0.80 ARF6 (0.35) PDE2APDE5AGRM4GRM8GRM7
SCHEMBL10313845 0.77 ARF6 (0.39) PGRNR3C2
SCHEMBL10276067 0.77 PGR (0.39) PGRNR3C2KDM4ENPC1RAB9A
SCHEMBL10275255 0.75 PDE2A (0.45) PDE2APDE5ATDP2KDM4ENPC1
SCHEMBL10275900 0.75 PGR (0.38) PGRNR3C2KDM4ENPC1RAB9A

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
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 PDE2A 3531/4885PDE5A 2719/4885GRM4 2158/4885

“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.