SCHEMBL14718951

SCHEMBL14718951

O=c1[nH]nc2c3c(cccc13)NOCC2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.38
PARP2 Q9UGN5 2/20 0.38
PARP3 Q9Y6F1 1/20 0.38
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 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
SCHEMBL14718856 0.78 PARP1 (0.40) PARP1PARP2PARP3TNKSTNKS2
SCHEMBL29919865 0.78 PARP1 (0.41) PARP1PARP2PARP3TNKSTNKS2
SCHEMBL21372079 0.78 PARP1 (0.41) PARP1PARP2PARP3TNKSTNKS2
SCHEMBL14718248 0.75 PARP1 (0.39) PARP1PARP2PARP3TNKSTNKS2
SCHEMBL14719247 0.67 PARP1 (0.48) PARP1PARP2TNKSTNKS2ATM
SCHEMBL14718623 0.67 PARP1 (0.39) PARP1PARP2PARP3TNKSTNKS2
SCHEMBL29915234 0.66 PARP1 (0.55) PARP1PARP2PARP3
SCHEMBL24317868 0.63 ATM (0.47) PARP1PARP2PARP3TNKSTNKS2
SCHEMBL30530525 0.63 ATM (0.47) PARP1PARP2PARP3TNKSTNKS2
SCHEMBL6842345 0.63 NPC1 (0.44) PARP1PARP2PARP3TNKSTNKS2

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-20130053365-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) BIOMARIN PHARMACEUTICAL, INC. (US) 2013-02-28 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-20130053365-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP3 PARP1 1/4885PARP2 2/4885PARP3 3/4885

“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.