SCHEMBL12405461

SCHEMBL12405461

CONC(=O)Nc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCO2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 3/20 0.41
CSNK2A1 P68400 2/20 0.41
CSNK2A2 P19784 1/20 0.38
EGFR P00533 1/20 0.38
BTK Q06187 1/20 0.38
GRM5 P41594 1/20 0.36
MAPT P10636 5/20 0.35
TP53 P04637 4/20 0.35
THRB P10828 3/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
USP30 Q70CQ3 2/20 0.34
KIF18A Q8NI77 1/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 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
SCHEMBL12405465 0.83 FGFR4 (0.41) FGFR4CSNK2A1CSNK2A2EGFRBTK
SCHEMBL12405455 0.80 CSNK2A1 (0.40) FGFR4CSNK2A1CSNK2A2EGFRBTK
SCHEMBL23554288 0.79 CSNK2A1 (0.43) FGFR4CSNK2A1CSNK2A2EGFRBTK
SCHEMBL2492487 0.79 FGFR4 (0.40) FGFR4CSNK2A1CSNK2A2EGFRBTK
SCHEMBL4928378 0.78 CSNK2A1 (0.38) FGFR4CSNK2A1CSNK2A2EGFRBTK
SCHEMBL30007388 0.78 CSNK2A1 (0.38) FGFR4CSNK2A1CSNK2A2EGFRBTK
SCHEMBL23530252 0.76 CSNK2A1 (0.37) FGFR4CSNK2A1CSNK2A2EGFRBTK
SCHEMBL30918950 0.76 FGFR4 (0.55) FGFR4CSNK2A1CSNK2A2EGFRBTK
SCHEMBL30918942 0.75 CSNK2A1 (0.37) FGFR4CSNK2A1CSNK2A2EGFRBTK
SCHEMBL30895915 0.75 FGFR4 (0.44) FGFR4CSNK2A1CSNK2A2EGFRBTK

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-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 US disclosed
US-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 US disclosed
US-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-08 US disclosed
US-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-08 US disclosed
US-7700592-B2 α2C adrenoreceptor agonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7700592-B2 α2C adrenoreceptor agonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 US disclosed
WO-2007024949-A2 ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 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-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRA2A FGFR4 3913/4885CSNK2A1 615/4885CSNK2A2 450/4885
US-20070093477-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A FGFR4 3913/4885CSNK2A1 615/4885CSNK2A2 450/4885
US-20080039439-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A FGFR4 3913/4885CSNK2A1 615/4885CSNK2A2 450/4885

“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.