SCHEMBL2992582

SCHEMBL2992582

O=C(O)c1cc(Cc2n[nH]c(=O)n3c(Cl)c(Cl)nc23)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.53
PDE5A O76074 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE1C Q14123 1/20 0.44
PDE3A Q14432 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.39

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
Hydrochloric Acid SCHEMBL2980577 0.81 PARP1 (0.63) PARP1
SCHEMBL2991176 0.81 PDE5A (0.41) PARP1PDE5APDE1APDE1BPDE3B
Trifluoroacetic Acid SCHEMBL2986269 0.81 PARP1 (0.45) PARP1
Trifluoroacetic Acid SCHEMBL2991255 0.80 PARP1 (0.54) PARP1
SCHEMBL2982446 0.79 PARP1 (0.43) PARP1PDE3A
Trifluoroacetic Acid SCHEMBL2978416 0.79 PARP1 (0.59) PARP1
Trifluoroacetic Acid SCHEMBL2986276 0.79 PARP1 (0.52) PARP1
Trifluoroacetic Acid SCHEMBL2995643 0.78 PARP1 (0.39) PARP1
Trifluoroacetic Acid SCHEMBL2992346 0.78 PARP1 (0.46) PARP1
Trifluoroacetic Acid SCHEMBL2988502 0.78 PARP1 (0.61) PARP1

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-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

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 1/4885PDE5A 3266/4885PDE1A 4402/4885

“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.