SCHEMBL10275900

SCHEMBL10275900

COc1ccc(-c2c(C)c(=O)n3nc(C)c(-c4ccc(F)cc4F)c3n2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
COMT P21964 1/20 0.37
GABRA1 P14867 6/20 0.36
GABRG2 P18507 6/20 0.36
GABRB3 P28472 6/20 0.36
GABRA3 P34903 6/20 0.36
GABRA2 P47869 6/20 0.36
CYP1A2 P05177 1/20 0.36
AR P10275 1/20 0.36
MAPT P10636 2/20 0.36
GABRA5 P31644 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPK14 Q16539 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL10276305 0.89 MAPT (0.44) PGRNR3C2MAPTTP53ALDH1A1
SCHEMBL10276067 0.88 PGR (0.39) PGRNR3C2GABRA1GABRG2GABRB3
SCHEMBL10275794 0.86 PDE2A (0.39) PGRNR3C2CYP1A2MAPTNPC1
SCHEMBL10275293 0.85 KDM1A (0.39) PGRNR3C2GABRA1GABRG2GABRB3
SCHEMBL10275202 0.83 MAPT (0.39) PGRNR3C2CYP1A2ARMAPT
SCHEMBL10313536 0.81 PGR (0.42) PGRNR3C2ARMAPTMEN1
SCHEMBL10276402 0.81 PGR (0.35) PGRNR3C2MAPTMAPK14KDM4E
SCHEMBL10275987 0.79 LMNA (0.36) PGRNR3C2MEN1KMT2ARAB9A
SCHEMBL10276488 0.78 MAPK14 (0.38) PGRNR3C2CYP1A2ARMAPT
SCHEMBL10276364 0.78 PGR (0.40) PGRNR3C2CYP1A2MAPTNPC1

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 PGR 3472/4885NR3C2 1731/4885COMT 2723/4885

“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.