SCHEMBL6517975

SCHEMBL6517975

COC(=O)c1cc(F)cc2nn(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)c(CC=O)c12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
PDE4B Q07343 1/20 0.39
TP53 P04637 6/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.37
TRPV3 Q8NET8 1/20 0.37
SCN9A Q15858 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 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
SCHEMBL6523422 0.87 POLB (0.42) POLBPDE4BTP53MAPTTHRB
SCHEMBL3434006 0.85 POLB (0.38) POLBPDE4BTP53MAPTTHRB
SCHEMBL3434005 0.85 POLB (0.38) POLBPDE4BTP53MAPTTHRB
SCHEMBL6519249 0.80 PDE4B (0.42) POLBPDE4BTP53MAPTTHRB
SCHEMBL6524011 0.77 MAPT (0.48) PDE4BTP53MAPTTHRBLMNA
SCHEMBL31386180 0.73 PDE4B (0.52) PDE4BMAPTTRPV3SCN9AJAK2
SCHEMBL22810473 0.71 PDE4B (0.52) POLBPDE4BMAPTTRPV3JAK2
SCHEMBL31386029 0.70 PDE4B (0.53) PDE4BSCN9AJAK2JAK1
SCHEMBL31385927 0.70 PDE4B (0.50) PDE4BMAPTTRPV3SCN9AJAK2
SCHEMBL31385735 0.69 PDE4B (0.54) PDE4BTP53MAPTTHRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362030-B2 Tricyclic derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-01-29 US disclosed
US-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2011-03-03 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-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP11 POLB 29/4885PDE4B 4172/4885TP53 148/4885

“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.