SCHEMBL610189

SCHEMBL610189

Cn1nc(Cl)cc(Nc2ccc(N3[C@@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)cn2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
RET P07949 1/20 0.42
CCND1 P24385 2/20 0.40
CDK6 Q00534 1/20 0.40
PIK3CA P42336 3/20 0.39
PRKDC P78527 3/20 0.39
MTOR P42345 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
ALK Q9UM73 2/20 0.35
CDK4 P11802 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
TNF P01375 2/20 0.35
LITAF Q99732 2/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL610188 1.00 BTK (0.42) BTKRETCCND1CDK6PIK3CA
SCHEMBL608762 0.85 MKNK2 (0.35) BTKCCND1PIK3CAPRKDCMTOR
SCHEMBL10201949 0.85 MKNK2 (0.35) BTKCCND1PIK3CAPRKDCMTOR
SCHEMBL10256308 0.84 WNT3A (0.48) BTKCCND1CDK6GPR119MKNK1
SCHEMBL14926034 0.83 GPR119 (0.41) BTKCCND1CDK6GPR119
SCHEMBL28361462 0.83 GPR119 (0.41) BTKCCND1CDK6GPR119
SCHEMBL29741997 0.83 GPR119 (0.41) BTKCCND1CDK6GPR119
SCHEMBL16248119 0.83 CCND1 (0.36) BTKCCND1CDK6PIK3CAPRKDC
SCHEMBL14925900 0.83 BTK (0.46) BTKRETCCND1CDK6PIK3CA
SCHEMBL609109 0.83 CDK6 (0.46) BTKRETCCND1CDK6PIK3CA

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 5 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
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-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 BTK 1/4885RET 689/4885CCND1 879/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN BTK 1/4885RET 689/4885CCND1 879/4885

“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.