SCHEMBL1305159

SCHEMBL1305159

N#CCc1ccc(Nc2nc3ncnc-3c(NC3C4C=CC(C4)C3C(N)=O)[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.38
MAP3K7 O43318 7/20 0.38
AURKB Q96GD4 8/20 0.37
KDR P35968 7/20 0.36
AURKA O14965 1/20 0.34
LCK P06239 1/20 0.34
PDGFRA P16234 1/20 0.34
FGFR2 P21802 1/20 0.34
WEE1 P30291 1/20 0.34
FLT3 P36888 1/20 0.34
SYK P43405 1/20 0.34
GSK3B P49841 1/20 0.34
PRKCE Q02156 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
SCHEMBL350889 0.87 IRAK4 (0.41) IRAK4MAP3K7AURKBKDR
SCHEMBL350890 0.87 IRAK4 (0.41) IRAK4MAP3K7AURKBKDR
SCHEMBL352656 0.85 AURKB (0.37) IRAK4MAP3K7AURKBKDRAURKA
SCHEMBL1305373 0.82 INSR (0.43) IRAK4MAP3K7
SCHEMBL1306923 0.82 IRAK4 (0.42) IRAK4MAP3K7AURKBKDRAURKA
SCHEMBL1306157 0.81 INSR (0.51) IRAK4MAP3K7AURKBKDR
SCHEMBL4790642 0.80 IRAK4 (0.45) IRAK4MAP3K7
SCHEMBL1306083 0.80 IRAK4 (0.49) IRAK4MAP3K7
SCHEMBL351381 0.80 IRAK4 (0.59) IRAK4MAP3K7AURKBKDRFLT3
SCHEMBL349701 0.80 IRAK4 (0.42) IRAK4MAP3K7AURKBKDRAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960372-B1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-12-09 EP claimed
EP-1960372-A1 KINASE INHIBITORS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2008-08-27 EP claimed
WO-2007070872-A1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 WO claimed
US-9834568-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-20160024116-A1 Kinase Inhibitors And Their Uses MIDCAP FINANCIAL TRUST 2016-01-28 US disclosed
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 EP disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 US disclosed
EP-2089354-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-08-19 EP disclosed
WO-2008054154-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 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 (2 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-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 IRAK4 3267/4885MAP3K7 1893/4885AURKB 618/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN IRAK4 239/4885MAP3K7 36/4885AURKB 233/4885

“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.