SCHEMBL2004254

SCHEMBL2004254

COc1ncc(C#N)cc1-c1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.46
NAMPT P43490 1/20 0.43
NR3C1 P04150 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM2 Q14416 1/20 0.42
PGR P06401 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CTSA P10619 1/20 0.41
HDAC1 Q13547 1/20 0.41
NSD2 O96028 1/20 0.40
EGLN2 Q96KS0 1/20 0.40
DYRK1A Q13627 1/20 0.40
ATR Q13535 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL4971940 0.86 RORC (0.49) RORCNR3C1PGRROCK2ROCK1
SCHEMBL18664430 0.79 PPARA (0.56) NAMPTL3MBTL1HDAC1EGLN2
SCHEMBL3274015 0.77 EPHX2 (0.58) NAMPTL3MBTL1HDAC1
SCHEMBL2004916 0.75 RORC (0.46) RORCNR3C1PGRCTSANSD2
SCHEMBL6959964 0.74 PTPN1 (0.57) NAMPTL3MBTL1GRM2HDAC1NSD2
SCHEMBL7167358 0.73 KDM4E (0.53) NAMPTL3MBTL1GRM2DYRK1AATR
SCHEMBL25173962 0.73 HDAC1 (0.46) NAMPTL3MBTL1GRM2HDAC1
SCHEMBL23949875 0.73 NSD2 (0.42) NAMPTL3MBTL1GRM2HDAC1NSD2
SCHEMBL20757726 0.72 EGLN2 (0.42) NAMPTL3MBTL1NSD2EGLN2
SCHEMBL595225 0.72 CA12 (0.52) NAMPTL3MBTL1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R RORC 144/4885NAMPT 4461/4885NR3C1 1/4885

“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.