SCHEMBL2994465

SCHEMBL2994465

O=C(c1cc(Cc2n[nH]c(=O)n3c(Cl)c(Cl)nc23)ccc1F)N1CC2CNC(COC(=O)C(F)(F)F)C2C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.42
PRAP1 Q96NZ9 1/20 0.38
PARP2 Q9UGN5 2/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL2986271 0.89 PARP1 (0.41) PARP1PRAP1PARP2TNKSTNKS2
Trifluoroacetic Acid SCHEMBL2994464 0.89 PARP1 (0.41) PARP1PRAP1PARP2TNKSTNKS2
Trifluoroacetic Acid SCHEMBL2986269 0.83 PARP1 (0.45) PARP1PARP2
SCHEMBL2986281 0.76 PARP1 (0.45) PARP1PRAP1
Trifluoroacetic Acid SCHEMBL2984641 0.75 PARP1 (0.40) PARP1
SCHEMBL2984210 0.74 PARP1 (0.39) PARP1PRAP1PARP2TNKSTNKS2
Trifluoroacetic Acid SCHEMBL2986276 0.74 PARP1 (0.52) PARP1KCNH2
SCHEMBL2983612 0.74 PARP1 (0.43) PARP1PRAP1PARP2TNKSTNKS2
Trifluoroacetic Acid SCHEMBL2991255 0.74 PARP1 (0.54) PARP1TNKSTNKS2
Trifluoroacetic Acid SCHEMBL2978416 0.73 PARP1 (0.59) PARP1TNKSTNKS2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173895-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2010-07-08 US disclosed
EP-2102212-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-09-23 EP disclosed
WO-2008056187-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-05-15 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 (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-20100173895-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) PARP1, PARP2, PARP15 PARP1 1/4885PRAP1 1177/4885PARP2 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.