SCHEMBL2991176

SCHEMBL2991176

N#Cc1cc(Cc2n[nH]c(=O)n3c(Cl)c(Cl)nc23)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE3A Q14432 1/20 0.41
PARP1 P09874 17/20 0.37

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
SCHEMBL2992582 0.81 PARP1 (0.53) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL3068304 0.71 PARP1 (0.49) PARP1
SCHEMBL2982446 0.70 PARP1 (0.43) PDE3APARP1
SCHEMBL2208552 0.70 PARP1 (0.70) PARP1
SCHEMBL30148159 0.70 LMNA (0.59) PARP1
SCHEMBL30792539 0.70 LMNA (0.59) PARP1
SCHEMBL2473519 0.70 LMNA (0.59) PARP1
SCHEMBL86923 0.69 PARP1 (0.53) PARP1
SCHEMBL31621084 0.69 PRMT5 (0.49) PARP1
SCHEMBL31621075 0.68 PARP1 (0.47) 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 PDE5A 3266/4885PDE1A 4402/4885PDE1B 4264/4885

“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.