SCHEMBL10201688

SCHEMBL10201688

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.38
MPO P05164 1/20 0.37
TPO P07202 1/20 0.37
EPX P11678 1/20 0.37
LPO P22079 1/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 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
SCHEMBL31133282 0.82 LMNA (0.48) MPOTPOEPXLPONOS3
SCHEMBL3333555 0.79 NOS3 (0.42) MPOTPOEPXLPONOS3
SCHEMBL10279192 0.77 NOS3 (0.41) MPOTPOEPXLPONOS3
SCHEMBL23634063 0.76 NCF1 (0.47) MPOTPOEPXLPONOS3
SCHEMBL30461582 0.75 MPO (0.41) MPOTPOEPXLPONOS3
SCHEMBL28663680 0.75 MPO (0.41) MPOTPOEPXLPONOS3
SCHEMBL610872 0.74 ALOX5AP (0.38) MPOTPOEPXLPOADRB2
SCHEMBL610871 0.74 ALOX5AP (0.38) MPOTPOEPXLPOADRB2
SCHEMBL18291228 0.73 HIF1A (0.35) MPOTPOEPXLPONOS3
SCHEMBL1920453 0.73 RAB9A (0.54) MCHR1MPOTPOEPXLPO

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 4 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-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-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 MCHR1 3616/4885MPO 1396/4885TPO 1383/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN MCHR1 3616/4885MPO 1396/4885TPO 1383/4885

“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.