SCHEMBL12519554

SCHEMBL12519554

CON(C)C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.66
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.41
EPHX1 P07099 2/20 0.40
CTSK P43235 2/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CDK9 P50750 1/20 0.36
HSD11B1 P28845 2/20 0.36
CYP2C9 P11712 1/20 0.36
REN P00797 1/20 0.35
EPHX2 P34913 1/20 0.34
DRD2 P14416 1/20 0.34
HDAC4 P56524 1/20 0.33

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
SCHEMBL15584829 1.00 BTK (0.66) BTKCA1CA2KMT2AL3MBTL1
SCHEMBL4944886 1.00 BTK (0.66) BTKCA1CA2KMT2AL3MBTL1
SCHEMBL8235761 0.92 BTK (0.54) BTKCA1CA2KMT2AL3MBTL1
SCHEMBL3901524 0.92 BTK (0.54) BTKCA1CA2KMT2AL3MBTL1
SCHEMBL10032035 0.87 BTK (0.71) BTKCA1CA2KMT2AL3MBTL1
SCHEMBL2377209 0.87 BTK (0.71) BTKCA1CA2KMT2AL3MBTL1
SCHEMBL15584567 0.87 BTK (0.50) BTKCA1CA2KMT2AL3MBTL1
SCHEMBL14879696 0.87 BTK (0.50) BTKCA1CA2KMT2AL3MBTL1
SCHEMBL573140 0.85 BTK (0.48) BTKCA1CA2KMT2AL3MBTL1
SCHEMBL2204939 0.85 BTK (0.48) BTKCA1CA2KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2022-01-27 US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 US disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 US disclosed
US-9987276-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2018-06-05 US disclosed
US-9296737-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 US disclosed
US-9212181-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-15 US disclosed
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-06-27 US disclosed
WO-2011090760-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-07-28 WO disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 WO 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 (10 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 BTK 594/4885CA1 4107/4885CA2 3325/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 BTK 594/4885CA1 4107/4885CA2 3325/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK BTK 261/4885CA1 4709/4885CA2 3602/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 BTK 594/4885CA1 4107/4885CA2 3325/4885
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL PIM1, PIM3, PIM2 BTK 39/4885CA1 3651/4885CA2 1051/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK BTK 261/4885CA1 4709/4885CA2 3602/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 BTK 149/4885CA1 4492/4885CA2 2998/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 BTK 594/4885CA1 4107/4885CA2 3325/4885
US-20130165462-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 BTK 594/4885CA1 4107/4885CA2 3325/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK BTK 261/4885CA1 4709/4885CA2 3602/4885

“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.