SCHEMBL12384403

SCHEMBL12384403

Cc1cc(CN2CCC(C(C)(C)C)C(F)C2)no1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.38
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
GABRA5 P31644 1/20 0.35
GRIN2B Q13224 5/20 0.35
GRIN1 Q05586 3/20 0.35
PRKAA2 P54646 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NMT1 P30419 1/20 0.34
RIPK1 Q13546 1/20 0.34

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
SCHEMBL15014579 0.84 TLR9 (0.39) TLR9TLR8TLR7MAPTRECQL
SCHEMBL12727215 0.82 MAPT (0.40) TLR9TLR8TLR7MAPTRECQL
SCHEMBL12424320 0.82 TLR9 (0.38) TLR9TLR8TLR7MAPTRECQL
SCHEMBL12384701 0.81 DRD2 (0.37) GRIN2BGRIN1
SCHEMBL12384858 0.79 MAPT (0.41) TLR9TLR8TLR7MAPTRECQL
SCHEMBL12384610 0.78 CNR2 (0.39) MAPTKDM4E
SCHEMBL15214318 0.77 L3MBTL1 (0.46) TLR9TLR8TLR7MAPTRECQL
SCHEMBL24491587 0.76 MAPT (0.43) TLR9TLR8TLR7MAPTRECQL
SCHEMBL14375262 0.74 KDM4E (0.51) TLR9TLR8TLR7MAPTRECQL
SCHEMBL15468520 0.74 TLR9 (0.41) TLR9TLR8TLR7MAPTRECQL

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 TLR9 2536/4885TLR8 2407/4885TLR7 801/4885

“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.