SCHEMBL10276468

SCHEMBL10276468

Cc1nn2c(=O)c(C)c(-c3ccc(C#N)cc3)[nH]c2c1-c1ccc(F)cc1F.Cc1nn2c(=O)cc(-c3ccc(N)cc3)n(C)c2c1-c1ccc(F)cc1F

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
KDM1A O60341 1/20 0.30
EGLN2 Q96KS0 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30

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
SCHEMBL10275295 0.86 MAPK14 (0.37) PARP1PARP2KDM1APGRNR3C2
SCHEMBL10275521 0.85 AR (0.36) KDM1AEGLN2PGRNR3C2GABRA1
SCHEMBL10276103 0.83 PGR (0.37) PGRNR3C2
SCHEMBL10275391 0.82 PGR (0.38) PGRNR3C2
SCHEMBL10276075 0.76 PARP1 (0.36) PARP1PARP2KDM1AGABRA1GABRG2
SCHEMBL10275823 0.76 ARF6 (0.46) PARP1PARP2KDM1AGABRA1GABRG2
SCHEMBL10275293 0.76 KDM1A (0.39) KDM1AEGLN2PGRNR3C2GABRA1
SCHEMBL10275641 0.76 PLAT (0.40) PARP1PARP2KDM1AGABRG2GABRB3
SCHEMBL10275156 0.75 ARF6 (0.45) PARP1PARP2KDM1A
SCHEMBL10280465 0.75 GCGR (0.40) PARP1PARP2KDM1APGRNR3C2

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 1 patent. 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

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 PARP1 2647/4885PARP2 3330/4885KDM1A 3996/4885

“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.