SCHEMBL410131

SCHEMBL410131

CC(C)C1CCN(C(=O)/C=C/CN(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.39
JAK3 P52333 2/20 0.38
CDK14 O94921 1/20 0.37
CCNY Q8ND76 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CDK7 P50613 3/20 0.37
CDK9 P50750 2/20 0.37
CDK4 P11802 1/20 0.37
BTK Q06187 4/20 0.36
CDK13 Q14004 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
CDK2 P24941 1/20 0.36
GAA P10253 1/20 0.35
EGFR P00533 2/20 0.35
LCK P06239 1/20 0.35
ITK Q08881 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
SCHEMBL20892752 0.91 JAK3 (0.41) JAK3CDK14CCNYCDK7CDK9
SCHEMBL20892949 0.91 JAK3 (0.41) JAK3CDK14CCNYCDK7CDK9
SCHEMBL21345775 0.88 GAA (0.37) JAK3CDK14CCNYHDAC1HDAC2
SCHEMBL20892791 0.86 JAK3 (0.36) JAK3CDK7CDK9CDK4BTK
SCHEMBL17928309 0.84 JAK3 (0.48) JAK3CDK14CCNYCDK7CDK9
SCHEMBL2618873 0.84 JAK3 (0.48) JAK3CDK14CCNYCDK7CDK9
SCHEMBL410261 0.84 JAK3 (0.48) JAK3CDK14CCNYCDK7CDK9
SCHEMBL26469442 0.83 JAK3 (0.45) JAK3CDK7CDK9CDK4BTK
SCHEMBL25066408 0.83 CCR2 (0.42) CCR2JAK3GAA
SCHEMBL18909694 0.83 BTK (0.39) JAK3CDK14CCNYHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542249-B2 BTK inhibitor compounds ELI LILLY AND COMPANY (US) 2023-01-03 US disclosed
US-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase PHARMACYCLICS LLC (US) 2022-07-07 US disclosed
EP-3707133-B1 BTK INHIBITOR COMPOUNDS LILLY CO ELI (US) 2021-12-15 EP disclosed
US-20200290997-A1 BTK INHIBITOR COMPOUNDS ELI LILLY AND COMPANY 2020-09-17 US disclosed
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. 2020-09-17 US disclosed
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2020-09-03 US disclosed
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-02-20 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-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2018-07-12 US disclosed
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 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-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-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
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 (15 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-20120178753-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 CCR2 3601/4885JAK3 253/4885CDK14 356/4885
US-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase ABL1, BTK, ABL2 CCR2 3601/4885JAK3 253/4885CDK14 356/4885
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS IRAK2, IRAK3, IRAK1 CCR2 173/4885JAK3 70/4885CDK14 533/4885
US-20120165328-A1 INHIBITORS OF B LYMPHOCYTE KINASE BLK, DCK, LTK CCR2 1458/4885JAK3 453/4885CDK14 300/4885
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN CCR2 3482/4885JAK3 45/4885CDK14 202/4885
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN CCR2 3482/4885JAK3 45/4885CDK14 202/4885
US-20120101114-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 CCR2 3601/4885JAK3 253/4885CDK14 356/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 CCR2 3601/4885JAK3 253/4885CDK14 356/4885
US-20200290997-A1 BTK INHIBITOR COMPOUNDS BTK, SYK, LCK CCR2 1296/4885JAK3 23/4885CDK14 805/4885
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE ABL1, BTK, ABL2 CCR2 3561/4885JAK3 190/4885CDK14 274/4885
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 CCR2 3601/4885JAK3 253/4885CDK14 356/4885
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN CCR2 3482/4885JAK3 45/4885CDK14 202/4885
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN CCR2 3482/4885JAK3 45/4885CDK14 202/4885
US-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 CCR2 3601/4885JAK3 253/4885CDK14 356/4885
US-11542249-B2 BTK inhibitor compounds BTK, SYK, LCK CCR2 1578/4885JAK3 25/4885CDK14 782/4885

“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.