SCHEMBL264696

SCHEMBL264696

CC(C)(C)c1ccc2nc(C#N)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.58
CSNK1D P48730 6/20 0.39
CSNK1G2 P78368 5/20 0.39
CSNK1A1 P48729 1/20 0.39
GSK3B P49841 1/20 0.39
KIF11 P52732 1/20 0.38
BACE1 P56817 1/20 0.38
SCN10A Q9Y5Y9 2/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGDS O60760 1/20 0.36
TTR P02766 1/20 0.35
SOS2 Q07890 1/20 0.34
DHFR P00374 1/20 0.34
DGAT1 O75907 1/20 0.34
BRS3 P32247 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1285025 0.87 NQO1 (0.55) NQO1CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL8002770 0.77 NQO1 (0.64) NQO1BACE1MEN1KMT2AHPGDS
SCHEMBL16492037 0.76 MEN1 (0.38) NQO1CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL29485681 0.76 MEN1 (0.38) NQO1CSNK1DCSNK1G2CSNK1A1GSK3B
SCHEMBL2704185 0.74 KCNH2 (0.42) BACE1SCN10AKCNH2MEN1KMT2A
SCHEMBL10182842 0.74 CYP1A2 (0.59) BACE1SCN10AKCNH2MEN1KMT2A
SCHEMBL19798867 0.74 KIF11 (0.57) CSNK1DCSNK1G2CSNK1A1GSK3BKIF11
SCHEMBL906879 0.74 NQO1 (1.00) NQO1MEN1KMT2AHPGDSALDH1A1
SCHEMBL21880293 0.74 NQO1 (0.60) NQO1MEN1KMT2AHPGDSTTR
SCHEMBL28491104 0.74 NQO1 (0.60) NQO1HPGDSTTR

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-8178558-B2 Substituted pyridylmethyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-05-15 US disclosed
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
EP-2222631-B1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-08-17 EP disclosed
US-7964732-B2 Substituted bicyclocarboxyamide compounds PFIZER INC. (US) 2011-06-21 US disclosed
EP-2091944-B1 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-05-18 EP disclosed
US-20100267769-A1 Substituted Bicyclocarboxyamide Compounds Pfizer, Inc. and Renovis Inc. 2010-10-21 US disclosed
EP-2222631-A2 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS Pfizer Inc. (US) 2010-09-01 EP disclosed
EP-2069302-B1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2010-08-25 EP disclosed
US-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER, INC. 2009-12-24 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
EP-2091944-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS Pfizer, Inc. (US) 2009-08-26 EP disclosed
EP-2069302-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS Pfizer Inc. (US) 2009-06-17 EP disclosed
EP-2044018-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS Pfizer Japan, Inc. (JP) 2009-04-08 EP disclosed
WO-2008059370-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-22 WO disclosed
WO-2008050199-A2 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-02 WO disclosed
WO-2008032204-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-03-20 WO disclosed
WO-2008007211-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-01-17 WO disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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 (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-20100267769-A1 Substituted Bicyclocarboxyamide Compounds TRPV1, OPRL1, CNR1 NQO1 2586/4885CSNK1D 1994/4885CSNK1G2 1532/4885
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 NQO1 3207/4885CSNK1D 1377/4885CSNK1G2 1885/4885
US-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS CNR1, CNR2, HCAR3 NQO1 3623/4885CSNK1D 720/4885CSNK1G2 757/4885
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 NQO1 680/4885CSNK1D 2275/4885CSNK1G2 2463/4885

“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.