SCHEMBL11970973

SCHEMBL11970973

CC(O)(C#C[Si](C)(C)C)c1ccc(F)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.31
▸ HSD11B1 P28845 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ SLC22A12 Q96S37 1/20 0.30
▸ FAAH O00519 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL15192845 0.81 FAAH (0.34) KMT2AFAAHKCNH2
SCHEMBL11971234 0.78 MAP3K14 (0.34) MAP3K14PDE10AHSD11B1SLC22A12KCNH2
SCHEMBL16132531 0.75 HSD11B1 (0.37) PDE10AHSD11B1SLC22A12FAAHKCNH2
SCHEMBL1507186 0.75 PDE10A (0.43) PDE10AHSD11B1SLC22A12FAAHKCNH2
SCHEMBL12001529 0.74 KCNH2 (0.35) MAP3K14PDE10AHSD11B1SLC22A12FAAH
SCHEMBL11970541 0.72 CYP19A1 (0.41) —
SCHEMBL4729458 0.70 TRPV4 (0.37) PDE10AHSD11B1
SCHEMBL29649716 0.69 TRPV4 (0.40) PDE10AHSD11B1SLC22A12FAAHKCNH2
SCHEMBL17586504 0.69 TRPV4 (0.40) PDE10AHSD11B1SLC22A12FAAHKCNH2
SCHEMBL15193061 0.68 MAP3K14 (0.39) MAP3K14KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150166569-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR GENENTECH, INC. (US) 2015-06-18 — — US disclosed
US-20150166569-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR GENENTECH, INC. (US) 2015-06-18 — — US disclosed
US-20150166569-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR GENENTECH, INC. (US) 2015-06-18 — — US disclosed
US-9034866-B2 Tricyclic compounds and methods of use therefor GENENTECH, INC. (US) 2015-05-19 — — US disclosed
US-9034866-B2 Tricyclic compounds and methods of use therefor GENENTECH, INC. (US) 2015-05-19 — — US disclosed
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor GENENTECH, INC. (US) 2015-02-05 — — US disclosed
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor GENENTECH, INC. (US) 2015-02-05 — — US disclosed
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor GENENTECH, INC. (US) 2015-02-05 — — US disclosed
EP-2814830-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR F.HOFFMANN-LA ROCHE AG (CH) 2014-12-24 — — EP disclosed
US-8901313-B2 6,5-heterocyclic propargylic alcohol compounds and uses therefor GENENTECH, INC. (US) 2014-12-02 — — US disclosed
US-8901313-B2 6,5-heterocyclic propargylic alcohol compounds and uses therefor GENENTECH, INC. (US) 2014-12-02 — — US disclosed
EP-2686314-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR F.HOFFMANN-LA ROCHE AG (CH) 2014-01-22 — — EP disclosed
WO-2013120980-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 — — WO disclosed
WO-2013120980-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 — — WO disclosed
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR GENENTECH, INC. (US) 2013-08-22 — — US disclosed
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR GENENTECH, INC. (US) 2013-08-22 — — US disclosed
WO-2012123522-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO disclosed
WO-2012123522-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO disclosed
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR GENENTECH, INC. (US) 2012-08-23 — — US disclosed
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR GENENTECH, INC. (US) 2012-08-23 — — 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 (4 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-20150166569-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR NFKB1, NFKBIA, RELA MAP3K14 1050/4885PDE10A 1264/4885HSD11B1 123/4885
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR NFKB1, NFRKB, NFKBIA MAP3K14 519/4885PDE10A 910/4885HSD11B1 27/4885
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR NFKB1, NFKBIA, RELA MAP3K14 1050/4885PDE10A 1264/4885HSD11B1 123/4885
US-20150038460-A1 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor NFKB1, NFRKB, NFKBIA MAP3K14 519/4885PDE10A 910/4885HSD11B1 27/4885

“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.

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