SCHEMBL1246907

SCHEMBL1246907

NC(=O)c1nc(-c2ccc(N3CCOCC3)nc2)sc1N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.57
TBK1 Q9UHD2 1/20 0.57
ATR Q13535 2/20 0.49
IRAK4 Q9NWZ3 1/20 0.48
ADK P55263 1/20 0.47
CNR2 P34972 6/20 0.47
JAK2 O60674 1/20 0.46
DGAT1 O75907 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP11B2 P19099 1/20 0.44
ERN1 O75460 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AKT1 P31749 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43

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
SCHEMBL1249666 0.91 ATR (0.52) IKBKETBK1ATRADKCNR2
SCHEMBL2177453 0.84 PIK3CA (0.47) IKBKETBK1ATRADKCNR2
SCHEMBL1579141 0.78 JAK2 (0.55) IKBKETBK1ATRADKCNR2
SCHEMBL1248702 0.76 TBK1 (0.53) IKBKETBK1ATRIRAK4CNR2
SCHEMBL12411063 0.75 PIK3CA (0.49) IKBKETBK1CNR2DGAT1ALDH1A1
SCHEMBL1246668 0.75 TBK1 (0.52) IKBKETBK1ATRIRAK4CNR2
SCHEMBL14059370 0.73 TBK1 (1.00) IKBKETBK1
SCHEMBL2169026 0.72 CNR2 (0.64) ATRIRAK4ADKCNR2JAK2
SCHEMBL357927 0.72 ALDH1A1 (0.71) IKBKETBK1ALDH1A1KDM4EPOLB
SCHEMBL7370511 0.72 ADK (0.57) ATRADKCNR2

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-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-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
US-20110166129-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2011-07-07 US disclosed
EP-2278969-A2 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2011-02-02 EP 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 301/4885ATR 840/4885

“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.