SCHEMBL10276067

SCHEMBL10276067

Cc1nn2c(=O)c(C)c(-c3ccc(N)cc3)n(C)c2c1-c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.39
NR3C2 P08235 3/20 0.39
PTPN11 Q06124 1/20 0.34
ALK Q9UM73 3/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
NTRK2 Q16620 1/20 0.33
PTGS2 P35354 1/20 0.32
BRD4 O60885 1/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
GRM5 P41594 1/20 0.32
GABRA1 P14867 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
SCHEMBL10276402 0.89 PGR (0.35) PGRNR3C2PTPN11ALKADORA2A
SCHEMBL10275900 0.88 PGR (0.38) PGRNR3C2MAPTKDM4EMEN1
SCHEMBL10275794 0.88 PDE2A (0.39) PGRNR3C2MAPTKDM4ENPC1
SCHEMBL10275293 0.87 KDM1A (0.39) PGRNR3C2GABRA1GABRG2GABRB3
SCHEMBL10313536 0.83 PGR (0.42) PGRNR3C2ALKADORA2AADORA2B
SCHEMBL10276305 0.81 MAPT (0.44) PGRNR3C2BRD4MAPTKDM4E
SCHEMBL10275987 0.81 LMNA (0.36) PGRNR3C2ADORA2BPTGS2BRD4
SCHEMBL10276364 0.80 PGR (0.40) PGRNR3C2MAPTKDM4ENPC1
SCHEMBL10276366 0.78 HSD11B1 (0.44) PGRNR3C2GRM5THRB
SCHEMBL10276103 0.77 PGR (0.37) PGRNR3C2ALKPTGS2BRD4

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 1731/4885PTPN11 2936/4885

“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.