SCHEMBL658640

SCHEMBL658640

COC(=O)c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.56
PLA2G2A P14555 1/20 0.56
ALOX15 P16050 1/20 0.56
PTGS2 P35354 1/20 0.56
PKN1 Q16512 5/20 0.53
PKN2 Q16513 5/20 0.53
DHODH Q02127 2/20 0.51
PLK4 O00444 1/20 0.51
MAPK13 O15264 1/20 0.51
DYRK3 O43781 1/20 0.51
ROCK2 O75116 1/20 0.51
RPS6KA5 O75582 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
CHEK2 O96017 1/20 0.51
PIM1 P11309 1/20 0.51
PHKG2 P15735 1/20 0.51
PRKACA P17612 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CSNK1D P48730 1/20 0.51

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
SCHEMBL658269 0.86 PARP1 (0.70) PARP1PKN1PKN2DHODHPLK4
SCHEMBL659856 0.85 PARP1 (0.56) PARP1PKN1PKN2DHODHPLK4
SCHEMBL28840576 0.84 PARP1 (0.77) PARP1PLA2G2AALOX15PTGS2PKN1
SCHEMBL29790457 0.84 PARP1 (0.77) PARP1PLA2G2AALOX15PTGS2PKN1
SCHEMBL6805503 0.76 PARP1 (0.81) PARP1PKN1PKN2DHODHPLK4
SCHEMBL6810193 0.76 PARP1 (0.55) PARP1PLA2G2AALOX15PTGS2PKN1
SCHEMBL31413222 0.76 PARP1 (0.65) PARP1PLA2G2AALOX15PTGS2DHODH
SCHEMBL1202174 0.75 PKN1 (0.59) PARP1PLA2G2AALOX15PTGS2PKN1
SCHEMBL1170810 0.75 PKN1 (0.77) PARP1PLA2G2AALOX15PTGS2PKN1
SCHEMBL6805003 0.74 PKN1 (0.67) PARP1PKN1PKN2DHODHPLK4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2012-02-23 US disclosed
US-8067613-B2 Benzimidazole poly(ADP ribose)polymerase inhibitors ABBOTT LABORATORIES (US) 2011-11-29 US disclosed
EP-2183248-A2 BENZIMIDAZOLE POLY (ADP RIBOSE) POLYMERASE INHIBITORS Abbott Laboratories (US) 2010-05-12 EP disclosed
US-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-29 US disclosed
WO-2009012280-A2 BENZIMIDAZOLE POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-22 WO 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 (2 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-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PLA2G2A 2813/4885ALOX15 1950/4885
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PLA2G2A 2813/4885ALOX15 1950/4885

“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.