SCHEMBL2177742

SCHEMBL2177742

CCOC(=O)c1nc(-c2ccc(N3CCOCC3)nc2)sc1Nc1cccc(C(CO)N2CCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
DGAT1 O75907 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MTOR P42345 10/20 0.37
CNR2 P34972 2/20 0.37
PIK3CA P42336 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL12411066 0.90 IKBKE (0.43) IKBKETBK1DGAT1MTORCNR2
SCHEMBL2181153 0.90 IKBKE (0.44) IKBKETBK1DGAT1CNR2
SCHEMBL1246923 0.89 TBK1 (0.53) IKBKETBK1DGAT1CNR2
SCHEMBL3512277 0.78 JAK2 (0.51) IKBKETBK1
SCHEMBL12411063 0.77 PIK3CA (0.49) IKBKETBK1DGAT1KDM4EALDH1A1
SCHEMBL2177170 0.76 TBK1 (0.47) IKBKETBK1DGAT1MTORPIK3CA
SCHEMBL2177453 0.76 PIK3CA (0.47) IKBKETBK1DGAT1KDM4EALDH1A1
SCHEMBL3510362 0.75 JAK2 (0.50)
SCHEMBL1249280 0.75 TBK1 (0.46) IKBKETBK1
SCHEMBL3510625 0.75 JAK2 (0.49) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278969-B1 Inhibitors of Janus kinases MERCK SHARP & DOHME (US) 2013-02-13 EP disclosed
EP-2278969-B1 Inhibitors of Janus kinases MERCK SHARP & DOHME (US) 2013-02-13 EP disclosed
US-8278335-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8278335-B2 Inhibitors of Janus kinases MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-20110166129-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
US-20110166129-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
WO-2010011375-A2 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2010-01-28 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 (1 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-20110166129-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 IKBKE 93/4885TBK1 301/4885DGAT1 2567/4885

“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.