SCHEMBL10275622

SCHEMBL10275622

COc1ccc(C2=NC(=O)n3nc(C)c(-c4ccc(F)cc4F)c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
AR P10275 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 2/20 0.36
LMNA P02545 1/20 0.36
ADORA1 P30542 1/20 0.36
AMY1A P0DUB6 1/20 0.35
SYK P43405 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SRC P12931 1/20 0.35

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 0.89 PGR (0.40) ARPGRNR3C2NPC1HPGD
SCHEMBL10275939 0.87 PGR (0.39) PGRNR3C2NPC1RAB9ASMN1; SMN2
SCHEMBL10275596 0.85 PGR (0.38) PGRNR3C2NPC1HPGDRAB9A
SCHEMBL10275390 0.84 AR (0.37) ARPGRNR3C2OPRM1MAPK14
SCHEMBL10275360 0.83 AR (0.40) PDE4APDE4BPDE4CPDE4DAR
SCHEMBL10313545 0.80 PGR (0.42) ARPGRNR3C2NPC1HPGD
SCHEMBL10275277 0.78 MEN1 (0.38) PGRNR3C2RAB9ASMN1; SMN2OPRM1
SCHEMBL10313574 0.77 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DAR
SCHEMBL10276114 0.77 PGR (0.39) PGRNR3C2NPC1HPGDRAB9A
SCHEMBL10275560 0.72 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPOLB

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 PDE4A 1420/4885PDE4B 1887/4885PDE4C 1540/4885

“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.