SCHEMBL657520

SCHEMBL657520

Cc1nnc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)nc2)o1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.58
DHODH Q02127 4/20 0.54
PARP2 Q9UGN5 1/20 0.52
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51
PLA2G2A P14555 1/20 0.51
ALOX15 P16050 1/20 0.51
PTGS2 P35354 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
SCHEMBL658192 0.85 PARP1 (0.56) PARP1DHODHPARP2PKN1PKN2
SCHEMBL659528 0.83 PARP1 (0.77) PARP1DHODHPARP2PKN1PKN2
SCHEMBL658269 0.75 PARP1 (0.70) PARP1DHODHPARP2PKN1PKN2
SCHEMBL658640 0.74 PARP1 (0.56) PARP1DHODHPARP2PKN1PKN2
SCHEMBL659219 0.73 PARP1 (0.78) PARP1DHODHPARP2PKN1PKN2
SCHEMBL18252746 0.73 PARP1 (0.78) PARP1DHODHPARP2PKN1PKN2
SCHEMBL6805573 0.73 PARP1 (0.68) PARP1DHODHPARP2PKN1PKN2
SCHEMBL659856 0.72 PARP1 (0.56) PARP1DHODHPARP2PKN1PKN2
SCHEMBL6805503 0.72 PARP1 (0.81) PARP1DHODHPARP2PKN1PKN2
SCHEMBL6805347 0.72 PARP1 (0.63) PARP1DHODHPARP2PKN1PKN2

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 9 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 claimed
EP-2183248-A2 BENZIMIDAZOLE POLY (ADP RIBOSE) POLYMERASE INHIBITORS Abbott Laboratories (US) 2010-05-12 EP claimed
US-20090030016-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-29 US claimed
WO-2009012280-A2 BENZIMIDAZOLE POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ABBOTT LABORATORIES (US) 2009-01-22 WO claimed
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 1/4885DHODH 1413/4885PARP2 2/4885
US-20120046303-A1 BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885DHODH 1413/4885PARP2 2/4885

“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.