SCHEMBL14719247

SCHEMBL14719247

O=c1[nH]nc2c3c(cccc13)CNCC2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.48
CD44 P16070 2/20 0.40
PNMT P11086 2/20 0.40
MAOB P27338 1/20 0.40
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
ROCK2 O75116 2/20 0.35
NAMPT P43490 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 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
SCHEMBL21372079 0.76 PARP1 (0.41) PARP1TNKSTNKS2PARP2ATM
SCHEMBL29919865 0.76 PARP1 (0.41) PARP1TNKSTNKS2PARP2ATM
SCHEMBL14718248 0.73 PARP1 (0.39) PARP1TNKSTNKS2PARP2ATM
SCHEMBL14718856 0.71 PARP1 (0.40) PARP1TNKSTNKS2PARP2
SCHEMBL15084454 0.68 PARP1 (0.40) PARP1TNKSTNKS2PARP2ATM
Hydrochloric Acid SCHEMBL17704119 0.67 PARP1 (0.40) PARP1TNKSTNKS2PARP2ATM
SCHEMBL24000798 0.67 ALDH1A1 (0.53) ROCK2ATMNPSR1POLB
SCHEMBL14718951 0.67 PARP1 (0.38) PARP1TNKSTNKS2PARP2ATM
SCHEMBL11080801 0.66 GAA (0.58) CD44PNMTMAOB
Hydrochloric Acid SCHEMBL30088846 0.66 ALDH1A1 (0.52) ROCK2ATMNPSR1POLB

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 1/4885CD44 4633/4885PNMT 1833/4885

“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.