SCHEMBL2492487

SCHEMBL2492487

Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCO2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 2/20 0.40
CSNK2A1 P68400 2/20 0.39
CSNK2A2 P19784 1/20 0.39
USP30 Q70CQ3 1/20 0.39
EGFR P00533 1/20 0.39
BTK Q06187 1/20 0.39
GRM5 P41594 3/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOTUM Q6P988 1/20 0.36
SCD5 Q86SK9 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAP3K14 Q99558 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
SCHEMBL6260989 0.93 CSNK2A1 (0.36) FGFR4CSNK2A1CSNK2A2USP30EGFR
SCHEMBL4928378 0.86 CSNK2A1 (0.38) FGFR4CSNK2A1CSNK2A2USP30EGFR
SCHEMBL12405455 0.86 CSNK2A1 (0.40) FGFR4CSNK2A1CSNK2A2USP30EGFR
SCHEMBL30007388 0.86 CSNK2A1 (0.38) FGFR4CSNK2A1CSNK2A2USP30EGFR
SCHEMBL23530252 0.84 CSNK2A1 (0.37) FGFR4CSNK2A1CSNK2A2USP30EGFR
SCHEMBL30918950 0.84 FGFR4 (0.55) FGFR4CSNK2A1CSNK2A2USP30EGFR
SCHEMBL30895915 0.83 FGFR4 (0.44) FGFR4CSNK2A1CSNK2A2USP30EGFR
SCHEMBL30918942 0.83 CSNK2A1 (0.37) FGFR4CSNK2A1CSNK2A2USP30EGFR
SCHEMBL23554288 0.83 CSNK2A1 (0.43) FGFR4CSNK2A1CSNK2A2USP30EGFR
SCHEMBL6322357 0.82 CSNK2A1 (0.38) FGFR4CSNK2A1CSNK2A2USP30EGFR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425010-B1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2011-10-26 EP disclosed
US-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester LU TIANBO 2007-09-20 US disclosed
US-7241789-B2 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICAL, INC. (US) 2007-07-10 US disclosed
US-20050250771-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-11-10 US disclosed
US-20050209225-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-09-22 US disclosed
US-6855722-B2 Substituted indoles and their use as integrin antagonists DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 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-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester ITGA5, ADGRE5, ITGAV FGFR4 1255/4885CSNK2A1 1049/4885CSNK2A2 1295/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 FGFR4 1579/4885CSNK2A1 626/4885CSNK2A2 751/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 FGFR4 2108/4885CSNK2A1 845/4885CSNK2A2 941/4885
US-20050250771-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 FGFR4 1629/4885CSNK2A1 612/4885CSNK2A2 716/4885

“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.