SCHEMBL10201508

SCHEMBL10201508

CB(O)N1CC2CCC(C1)N2c1ccc(Nc2cc(Cl)nn(C)c2=O)nc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.33
BTK Q06187 10/20 0.33
PIK3CA P42336 4/20 0.32
PRKDC P78527 4/20 0.32
MTOR P42345 1/20 0.32
PARP1 P09874 1/20 0.31
CDK4 P11802 1/20 0.31
WEE1 P30291 1/20 0.31
MAP4K1 Q92918 1/20 0.30

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
SCHEMBL10201949 0.88 MKNK2 (0.35) MKNK2BTKPIK3CAPRKDCMTOR
SCHEMBL608762 0.88 MKNK2 (0.35) MKNK2BTKPIK3CAPRKDCMTOR
SCHEMBL610188 0.81 BTK (0.42) BTKPIK3CAPRKDCMTORCDK4
SCHEMBL610189 0.81 BTK (0.42) BTKPIK3CAPRKDCMTORCDK4
SCHEMBL10201931 0.79 CCND1 (0.37) BTKCDK4
SCHEMBL610905 0.75 SYK (0.43) BTKCDK4WEE1MAP4K1
SCHEMBL610952 0.74 WEE1 (0.51) BTKCDK4WEE1MAP4K1
SCHEMBL10201927 0.73 BTK (0.35) BTKPARP1
SCHEMBL10256584 0.72 CCND3 (0.48) CDK4MAP4K1
SCHEMBL1394803 0.72 WEE1 (0.41) BTKCDK4WEE1

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 MKNK2 398/4885BTK 1/4885PIK3CA 177/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN MKNK2 398/4885BTK 1/4885PIK3CA 177/4885

“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.