SCHEMBL6519249

SCHEMBL6519249

COC(=O)c1cc(F)cc2nn(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.42
POLB P06746 1/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
LMNA P02545 2/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
USP30 Q70CQ3 1/20 0.38
SCN9A Q15858 2/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
TP53 P04637 4/20 0.37
GPR119 Q8TDV5 1/20 0.36
MAPT P10636 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 0.83 POLB (0.42) PDE4BPOLBJAK2JAK1LMNA
SCHEMBL6517975 0.80 POLB (0.40) PDE4BPOLBJAK2JAK1LMNA
SCHEMBL1422522 0.79 PARP1 (0.50) PDE4BLMNATP53
SCHEMBL21743067 0.79 PARP1 (0.50) PDE4BLMNATP53
SCHEMBL3434006 0.78 POLB (0.38) PDE4BPOLBLMNAALDH1A1TRPV3
SCHEMBL3434005 0.78 POLB (0.38) PDE4BPOLBLMNAALDH1A1TRPV3
SCHEMBL1422383 0.77 PARP1 (0.46) POLBJAK2JAK1LMNAALDH1A1
SCHEMBL31386180 0.77 PDE4B (0.52) PDE4BJAK2JAK1ALDH1A1TRPV3
SCHEMBL22810473 0.75 PDE4B (0.52) PDE4BPOLBJAK2JAK1ALDH1A1
SCHEMBL31386029 0.74 PDE4B (0.53) PDE4BJAK2JAK1ALDH1A1USP30

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 PDE4B 4172/4885POLB 29/4885JAK2 2634/4885

“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.