SCHEMBL6843639

SCHEMBL6843639

CNCCN(C)Cc1nc2c(C(N)=O)cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 18/20 0.51
▸ PIM1 P11309 2/20 0.46
▸ PIM3 Q86V86 2/20 0.46
▸ BRSK1 Q8TDC3 2/20 0.46
▸ AURKB Q96GD4 2/20 0.46
▸ CLK4 Q9HAZ1 2/20 0.46
▸ MKNK2 Q9HBH9 2/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ PRKCG P05129 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ RPS6KA3 P51812 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ DYRK3 O43781 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ PKN2 Q16513 1/20 0.45
▸ HIPK2 Q9H2X6 1/20 0.45
▸ STK17A Q9UEE5 1/20 0.45

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
SCHEMBL6843629 0.83 PARP1 (0.57) PARP1
SCHEMBL6843630 0.78 PARP1 (0.55) PARP1
SCHEMBL23581692 0.76 PARP1 (0.66) PARP1PIM1PIM3BRSK1AURKB
SCHEMBL25022851 0.75 PARP1 (0.63) PARP1PIM1PIM3BRSK1AURKB
SCHEMBL12385320 0.74 PARP1 (0.62) PARP1PIM1PIM3BRSK1AURKB
SCHEMBL9697955 0.74 BCHE (0.59) —
SCHEMBL6842025 0.73 PARP1 (0.66) PARP1PIM1PIM3BRSK1AURKB
SCHEMBL6841122 0.73 PARP1 (0.61) PARP1PIM1PIM3BRSK1AURKB
SCHEMBL23581718 0.73 PARP1 (0.61) PARP1PIM1PIM3BRSK1AURKB
Hydrochloric Acid SCHEMBL28060188 0.72 PARP1 (0.59) PARP1PIM1PIM3BRSK1AURKB

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-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase AGOURON PHARMACEUTICALS, INC. 2004-02-19 — — 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-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase PARP1, PARP11, PARP2 PARP1 1/4885PIM1 909/4885PIM3 1318/4885

“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.

Send feedback