SCHEMBL610871

SCHEMBL610871

COC[C@@H](COc1ccc(N)nc1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
APLNR P35414 1/20 0.34
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
MPO P05164 1/20 0.31
TPO P07202 1/20 0.31
EPX P11678 1/20 0.31
LPO P22079 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL610872 1.00 ALOX5AP (0.38) ALOX5APFEN1APLNRCYP2C9TSHR
SCHEMBL611417 0.84 CHRNB2 (0.36)
SCHEMBL611416 0.84 CHRNB2 (0.36)
SCHEMBL16964112 0.75 CA12 (0.37) ALOX5APFEN1MPOTPOEPX
SCHEMBL10201688 0.74 MCHR1 (0.38) ADRB2ADRB1ADRB3MPOTPO
SCHEMBL18291212 0.73 DUT (0.38) ALOX5APFEN1MPOTPOEPX
SCHEMBL18588102 0.72 TDP1 (0.44) CYP2C9TSHRADRB3KDM4EHSD17B10
SCHEMBL19924498 0.72 ALOX5AP (0.43) ALOX5APFEN1MPOTPOEPX
SCHEMBL29875070 0.72 ALOX5AP (0.43) ALOX5APFEN1MPOTPOEPX
SCHEMBL28544380 0.70 KDM4E (0.47) CYP2C9ADRB2ADRB1ADRB3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
EP-2603500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 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 (2 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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN ALOX5AP 1360/4885FEN1 4067/4885APLNR 4855/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN ALOX5AP 1360/4885FEN1 4067/4885APLNR 4855/4885

“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.