SCHEMBL1613875

SCHEMBL1613875

C#CC(C)(O)c1ncc(C)o1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 4/20 0.33
PRKD1 Q15139 3/20 0.33
PIK3CG P48736 1/20 0.31

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
SCHEMBL16505653 1.00 MAP3K14 (0.33) MAP3K14PRKD1PIK3CG
SCHEMBL16532260 0.80 MAP3K14 (0.37) MAP3K14PRKD1PIK3CG
SCHEMBL16547152 0.80 MAP3K14 (0.37) MAP3K14PRKD1PIK3CG
SCHEMBL16522729 0.80 MAP3K14 (0.37) MAP3K14PRKD1PIK3CG
SCHEMBL16526430 0.80 MAP3K14 (0.37) MAP3K14PRKD1PIK3CG
SCHEMBL13561292 0.78 PIK3CG (0.40) PIK3CG
SCHEMBL18888152 0.76 MAP3K14 (0.39) MAP3K14PRKD1
SCHEMBL11915955 0.73 PIK3CG (0.43) PIK3CG
SCHEMBL16505509 0.73 MAP3K14 (0.32) MAP3K14
SCHEMBL22715881 0.73 MAP3K14 (0.32) MAP3K14

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 11 patents. 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-9034866-B2 Tricyclic compounds and methods of use therefor GENENTECH, INC. (US) 2015-05-19 US disclosed
EP-2814830-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR F.HOFFMANN-LA ROCHE AG (CH) 2014-12-24 EP 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
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO 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 (3 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 1050/4885PRKD1 1118/4885PIK3CG 1824/4885
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR NFKB1, NFKBIA, RELA MAP3K14 1050/4885PRKD1 1118/4885PIK3CG 1824/4885
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 MAP3K14 17/4885PRKD1 286/4885PIK3CG 507/4885

“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.