SCHEMBL2618873

SCHEMBL2618873

CC(C)C1CCCN(C(=O)/C=C/CN(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.48
EGFR P00533 5/20 0.41
BTK Q06187 7/20 0.40
LCK P06239 2/20 0.40
CDK4 P11802 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CDK14 O94921 2/20 0.38
CCNY Q8ND76 2/20 0.38
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 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
SCHEMBL410261 1.00 JAK3 (0.48) JAK3EGFRBTKLCKCDK4
SCHEMBL17928309 1.00 JAK3 (0.48) JAK3EGFRBTKLCKCDK4
SCHEMBL26469442 0.96 JAK3 (0.45) JAK3EGFRBTKLCKCDK4
SCHEMBL20892949 0.93 JAK3 (0.41) JAK3EGFRBTKLCKCDK4
SCHEMBL20892752 0.93 JAK3 (0.41) JAK3EGFRBTKLCKCDK4
SCHEMBL21884776 0.88 JAK3 (0.46) JAK3EGFRBTKLCKCDK4
SCHEMBL409255 0.86 BTK (0.41) JAK3EGFRBTKLCKCDK4
SCHEMBL20892791 0.86 JAK3 (0.36) JAK3EGFRBTKCDK4CDK7
SCHEMBL410131 0.84 CCR2 (0.39) JAK3EGFRBTKLCKCDK4
SCHEMBL19999892 0.83 JAK3 (0.42) JAK3EGFRBTKLCKCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975055-B2 Inhibitors of interleukin-1 receptor-associated kinases and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-13 US disclosed
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase CORVUS PHARMACEUTICALS, INC. (US) 2020-12-22 US disclosed
US-20200299257-A9 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-24 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-20190276426-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-12 US disclosed
US-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS BIOPHARMACEUTICALS, LTD. (KY) 2019-04-11 US disclosed
US-20180085372-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2018-03-29 US disclosed
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-29 US disclosed
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-29 US disclosed
US-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-12-21 US disclosed
US-8748438-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2014-06-10 US disclosed
US-8748439-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2014-06-10 US disclosed
US-8741908-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2014-06-03 US disclosed
US-8735404-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2014-05-27 US disclosed
US-8735403-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2014-05-27 US disclosed
US-8658653-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2014-02-25 US disclosed
US-20130005745-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC (US) 2013-01-03 US disclosed
US-20120101114-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-8158786-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2012-04-17 US disclosed
US-20110257203-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Phamarcyclics, Inc. (US) 2011-10-20 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 (12 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 JAK3 253/4885EGFR 697/4885BTK 2/4885
US-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ABL1, BTK, LYN JAK3 110/4885EGFR 711/4885BTK 2/4885
US-20110257203-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN JAK3 72/4885EGFR 836/4885BTK 1/4885
US-20200299257-A9 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF IRAK1, IRAK4, IRAK2 JAK3 192/4885EGFR 1028/4885BTK 329/4885
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK JAK3 98/4885EGFR 357/4885BTK 1/4885
US-10975055-B2 Inhibitors of interleukin-1 receptor-associated kinases and uses thereof IRAK1, IRAK4, IRAK2 JAK3 192/4885EGFR 1028/4885BTK 329/4885
US-20180085372-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN JAK3 72/4885EGFR 836/4885BTK 1/4885
US-20190276426-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF IRAK1, IRAK4, IRAK2 JAK3 192/4885EGFR 1028/4885BTK 329/4885
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN JAK3 45/4885EGFR 497/4885BTK 1/4885
US-20120101114-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 JAK3 253/4885EGFR 697/4885BTK 2/4885
US-20130005745-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN JAK3 72/4885EGFR 836/4885BTK 1/4885
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase ABL1, BTK, LYN JAK3 110/4885EGFR 711/4885BTK 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.