SCHEMBL6524057

SCHEMBL6524057

CC(C)(C)[Si](C)(C)OCc1cc(F)cc2nn(-c3ccc(C#N)cc3)cc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.34
MAPKAPK2 P49137 1/20 0.34
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
NOTUM Q6P988 1/20 0.32
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
GPBAR1 Q8TDU6 2/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 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
SCHEMBL6525311 0.84 MAPKAPK2 (0.35) MAPKAPK2NOTUM
SCHEMBL6521846 0.79 NOTUM (0.46) ARMAPKAPK2NOTUMKDM4ETP53
SCHEMBL6522421 0.72 CNR2 (0.37)
SCHEMBL3413163 0.71 CA12 (0.41) MAPKAPK2KDM4ETP53
SCHEMBL3432748 0.70 PARP1 (0.37) NOTUM
SCHEMBL4512050 0.69 FNTA (0.38)
SCHEMBL6520476 0.67 CYP19A1 (0.37)
SCHEMBL20607563 0.67 AOC3 (0.58) ARKDM4ETP53
SCHEMBL8812553 0.67 CYP2A6 (0.46)
SCHEMBL3135295 0.66 MBOAT4 (0.41) KDM4E

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 AR 1529/4885MAPKAPK2 2152/4885RXRA 2798/4885

“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.