SCHEMBL694128

SCHEMBL694128

CCOC(CNC(=O)c1ccc(C(C)(C)C)cc1N)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 4/20 0.48
ESRRB O95718 3/20 0.48
MAPK1 P28482 2/20 0.43
ATM Q13315 1/20 0.43
ADORA2A P29274 1/20 0.42
CFTR P13569 1/20 0.40
EPHX1 P07099 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 2/20 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
SCHEMBL695538 0.82 ATM (0.54) MAPK1ATMADORA2AKMT2AMEN1
SCHEMBL26795951 0.73 ALDH1A1 (0.50) ESRRGESRRBCFTRKMT2AMEN1
SCHEMBL11690472 0.72 CFTR (0.55) ESRRGESRRBCFTRALDH1A1KDM4E
SCHEMBL105277 0.71 ALDH1A1 (0.68) ESRRGESRRBCFTRKMT2AMEN1
SCHEMBL31273443 0.71 ALDH1A1 (0.68) ESRRGESRRBCFTRKMT2AMEN1
SCHEMBL16418929 0.70 CFTR (0.73) ESRRGESRRBATMCFTRKMT2A
SCHEMBL27855171 0.70 ALDH1A1 (0.50) ESRRGESRRBCFTRKMT2AMEN1
SCHEMBL6810401 0.69 ATM (0.63) MAPK1ATMEPHX1KMT2AMEN1
SCHEMBL6314167 0.69 HPGD (0.47) MAPK1ATMADORA2AEPHX1KMT2A
SCHEMBL1722083 0.68 ALDH1A1 (0.55) ESRRGESRRBATMCFTRKMT2A

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
CN-102292329-B Inhibitors of bruton's tyrosine kinase HOFFMANN LA ROCHE 2014-09-03 CN disclosed
EP-2421854-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-07-23 EP disclosed
US-8318719-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
EP-2421854-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
CN-102292329-A Inhibitors of bruton's tyrosine kinase 2011-12-21 CN disclosed
WO-2010122038-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 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-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN ESRRG 3317/4885ESRRB 4715/4885MAPK1 171/4885

“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.