SCHEMBL2177170

SCHEMBL2177170

CCOC(=O)c1nc(-c2ccc(N3CCOCC3)nc2)sc1NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 0.47
IKBKE Q14164 1/20 0.47
DGAT1 O75907 1/20 0.44
MTOR P42345 15/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PIK3CA P42336 1/20 0.41

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
SCHEMBL12411063 0.83 PIK3CA (0.49) TBK1IKBKEDGAT1MTORL3MBTL1
SCHEMBL2177453 0.81 PIK3CA (0.47) TBK1IKBKEDGAT1MTORL3MBTL1
SCHEMBL2520077 0.77 TRPM8 (0.53) L3MBTL1
SCHEMBL2177742 0.76 IKBKE (0.41) TBK1IKBKEDGAT1MTORL3MBTL1
SCHEMBL28518770 0.74 LMNA (0.50) MTOR
SCHEMBL29301634 0.73 MAPT (0.61) DGAT1MTOR
SCHEMBL18039588 0.72 TRPM8 (0.42) L3MBTL1
SCHEMBL18394475 0.72 USP2 (0.44) MTORL3MBTL1PIK3CA
SCHEMBL7453654 0.72 LMNA (0.55)
SCHEMBL12079327 0.72 MTOR (0.35) MTORL3MBTL1

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 5 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
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

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 TBK1 301/4885IKBKE 93/4885DGAT1 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.