SCHEMBL410186

SCHEMBL410186

CC(C)[C@H]1CC[C@@H](NC(=O)/C=C/CN2CCOCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
LCK P06239 1/20 0.41
BTK Q06187 1/20 0.41
CNR2 P34972 1/20 0.39
CDK7 P50613 5/20 0.39
CDK13 Q14004 3/20 0.39
RAB9A P51151 4/20 0.36
CCNH P51946 2/20 0.36
MNAT1 P51948 2/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
EPHX1 P07099 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CCNK O75909 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL463603 1.00 EGFR (0.41) EGFRLCKBTKCNR2CDK7
SCHEMBL13563754 0.86 EGFR (0.42) EGFRLCKBTKCNR2CDK7
SCHEMBL16900168 0.86 EGFR (0.42) EGFRLCKBTKCNR2CDK7
SCHEMBL22388665 0.84 EGFR (0.41) EGFRLCKBTKCNR2CDK7
SCHEMBL410297 0.78 CDK13 (0.39) EGFRLCKBTKCNR2CDK7
SCHEMBL20206200 0.77 POLB (0.42) BTKRAB9ANPC1SMN1; SMN2EPHX1
SCHEMBL16665574 0.76 SMN1; SMN2 (0.46) EGFRBTKCDK7CDK13SMN1; SMN2
SCHEMBL27451925 0.75 MEN1 (0.41) EGFRBTKCDK7CDK13SMN1; SMN2
SCHEMBL27451922 0.75 MEN1 (0.41) EGFRBTKCDK7CDK13SMN1; SMN2
SCHEMBL14079971 0.75 MEN1 (0.41) EGFRBTKCDK7CDK13SMN1; SMN2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2018-07-12 US disclosed
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2018-07-12 US disclosed
US-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-12-21 US disclosed
US-9556182-B2 Inhibitors of Bruton's tyrosine kinase Pharmacylics LLC (US) 2017-01-31 US disclosed
US-9278100-B2 Inhibitors of bruton's tyrosine kinase for the treatment of solid tumors PHARMACYCLICS LLC (US) 2016-03-08 US disclosed
US-9181263-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-11-10 US disclosed
US-20150307500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-10-29 US disclosed
US-20150306106-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-10-29 US disclosed
US-20150265618-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-09-24 US disclosed
US-9139591-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-09-22 US disclosed
US-20120202264-A1 INHIBITORS OF IL2-INDUCIBLE T-CELL KINASE PHARMACYCLICS, INC. (US) 2012-08-09 US disclosed
US-20120184013-A1 Inhibitors of BMX non-receptor tyrosine kinase PHARMACYCLICS, INC. (US) 2012-07-19 US disclosed
US-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-07-19 US disclosed
US-20120178753-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-07-12 US disclosed
US-20120165328-A1 INHIBITORS OF B LYMPHOCYTE KINASE PHARMACYCLICS, INC. (US) 2012-06-28 US disclosed
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120101114-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-03-15 US disclosed
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. (US) 2011-09-15 US disclosed
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2010-10-07 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 (13 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-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EGFR 697/4885LCK 23/4885BTK 2/4885
US-20120178753-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EGFR 697/4885LCK 23/4885BTK 2/4885
US-20120165328-A1 INHIBITORS OF B LYMPHOCYTE KINASE BLK, DCK, LTK EGFR 906/4885LCK 7/4885BTK 14/4885
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN EGFR 497/4885LCK 8/4885BTK 1/4885
US-20150306106-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EGFR 697/4885LCK 23/4885BTK 2/4885
US-20120101114-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EGFR 697/4885LCK 23/4885BTK 2/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EGFR 697/4885LCK 23/4885BTK 2/4885
US-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EGFR 697/4885LCK 23/4885BTK 2/4885
US-20150307500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EGFR 697/4885LCK 23/4885BTK 2/4885
US-20150265618-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EGFR 697/4885LCK 23/4885BTK 2/4885
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EGFR 697/4885LCK 23/4885BTK 2/4885
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN EGFR 497/4885LCK 8/4885BTK 1/4885
US-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 EGFR 697/4885LCK 23/4885BTK 2/4885

“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.