SCHEMBL6525311

SCHEMBL6525311

CC(C)(C)[Si](C)(C)OCc1cccc2nn(-c3ccc(C#N)cc3)cc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.35
NOTUM Q6P988 1/20 0.33
PDE10A Q9Y233 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
BACE1 P56817 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCB1 P08183 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
SCN9A Q15858 1/20 0.30

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
SCHEMBL6524057 0.84 AR (0.34) MAPKAPK2NOTUM
SCHEMBL6517899 0.77 NOTUM (0.49) MAPKAPK2NOTUMPDE10AKMT2AADORA3
SCHEMBL8812553 0.69 CYP2A6 (0.46) KMT2A
SCHEMBL3411577 0.69 MAPT (0.43) MAPKAPK2KMT2AADORA3
SCHEMBL4512050 0.69 FNTA (0.38) BACE1
SCHEMBL6526880 0.68 NPSR1 (0.41) NOTUMPDE10AADORA3
SCHEMBL20533050 0.67 BACE1 (0.41) BACE1KMT2A
SCHEMBL8113454 0.66 SLC6A2 (0.35) BACE1
SCHEMBL19915790 0.66 FNTA (0.34) BACE1
SCHEMBL17433815 0.66 NCF1 (0.44) BACE1

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 MAPKAPK2 2152/4885NOTUM 3878/4885PDE10A 4427/4885

“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.