SCHEMBL3344069

SCHEMBL3344069

O=C(NCc1ncco1)c1ccc2c(c1)[nH]c(=O)c1c(Cl)cc(Cl)n12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
ROCK2 O75116 5/20 0.41
BRPF1 P55201 1/20 0.40
EPHX2 P34913 8/20 0.39
PPARG P37231 5/20 0.39
NTRK1 P04629 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35
CASP6 P55212 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 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
SCHEMBL3337722 0.79 BRPF1 (0.46) PARP1ROCK2BRPF1EPHX2PPARG
SCHEMBL3337044 0.74 MEN1 (0.55)
SCHEMBL3339450 0.74 PARP1 (0.43) PARP1
SCHEMBL3338476 0.72 PARP1 (0.47) PARP1
Trifluoroacetic Acid SCHEMBL3339072 0.71 PARP1 (0.54) PARP1
Trifluoroacetic Acid SCHEMBL3339735 0.70 PARP1 (0.48) PARP1
SCHEMBL3340742 0.70 ACHE (0.57)
SCHEMBL3336666 0.68 PARP1 (0.66) PARP1ROCK2BRPF1
SCHEMBL3339022 0.66 PARP1 (0.54) PARP1BRPF1EPHX2PPARG
SCHEMBL1569164 0.65 ROCK2 (0.58) ROCK2

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-20100152180-A1 4-oxo-4,5-dihydropyrrolo[1,2-A)quinoxaline derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-06-17 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-20100152180-A1 4-oxo-4,5-dihydropyrrolo[1,2-A)quinoxaline derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) PARP1, PARP2, PARP4 PARP1 1/4885ROCK2 2222/4885BRPF1 2845/4885

“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.