SCHEMBL13587136

SCHEMBL13587136

CC(C)(C)c1cc2sc(C(C)(C)C)nc2cn1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.33
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL14866987 0.86 CASR (0.33) CASRNPC1ALDH1A1TP53MAPT
SCHEMBL804959 0.82 SMN1; SMN2 (0.52) NPC1ALDH1A1TP53MAPTPKM
SCHEMBL10183352 0.81 RAB9A (0.50) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL26189749 0.81 KCNH2 (0.40) CASRALDH1A1RAB9A
SCHEMBL2705764 0.78 RAB9A (0.45) CASRNPC1ALDH1A1TP53MAPT
SCHEMBL21981998 0.78 ACACB (0.36) CASRNPC1RAB9ASMN1; SMN2
SCHEMBL19803743 0.78 CASR (0.32) CASRNPC1RAB9ASMN1; SMN2
SCHEMBL19749195 0.77 SMN1; SMN2 (0.52) CASRNPC1ALDH1A1TP53MAPT
SCHEMBL17306806 0.73 CASR (0.33) CASR
SCHEMBL799939 0.73 RAB9A (0.58) CASRNPC1TP53MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-20230331740-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-10-19 US disclosed
US-11691987-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-07-04 US disclosed
US-11691987-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-07-04 US disclosed
US-11419875-B2 Compounds and compositions for treating hematological disorders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-08-23 US disclosed
US-20210290628-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-09-23 US disclosed
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 US disclosed
US-20200345704-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS CURIS, INC. 2020-11-05 US disclosed
US-10758518-B2 Compounds and compositions for treating hematological disorders CURIS, INC. (US) 2020-09-01 US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 US disclosed
US-20190134010-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS CURIS, INC. 2019-05-09 US disclosed
US-20180022758-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-01-25 US disclosed
US-20180022758-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-01-25 US disclosed
US-20170340733-A1 COMBINATION THERAPIES NOVARTIS AG (CH) 2017-11-30 US disclosed
US-9732095-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-08-15 US disclosed
US-9732095-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2017-08-15 US disclosed
US-20160340366-A1 BICYCLIC HETEROCYCLYL DERIVATES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2016-11-24 US disclosed
US-20130096136-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2013-04-18 US disclosed
US-7626030-B2 Compounds and methods of use AMGEN INC. (US) 2009-12-01 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 (14 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-11691987-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 CASR 3833/4885PIK3CD 122/4885PIK3CA 53/4885
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 CASR 3794/4885PIK3CD 972/4885PIK3CA 812/4885
US-20200345704-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS IRAK4, IRAK2, JAK2 CASR 4672/4885PIK3CD 130/4885PIK3CA 228/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CASR 3227/4885PIK3CD 936/4885PIK3CA 908/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CASR 3794/4885PIK3CD 972/4885PIK3CA 812/4885
US-20170340733-A1 COMBINATION THERAPIES BRCA1, TP53, VHL CASR 3481/4885PIK3CD 2629/4885PIK3CA 884/4885
US-20160340366-A1 BICYCLIC HETEROCYCLYL DERIVATES AS IRAK4 INHIBITORS IRAK4, IRAK1, IRAK3 CASR 3730/4885PIK3CD 128/4885PIK3CA 74/4885
US-20210290628-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS IRAK4, FLT3, IRAK3 CASR 4724/4885PIK3CD 70/4885PIK3CA 48/4885
US-20130096136-A1 Inhibitors of Protein Tyrosine Kinase Activity KDR, FLT1, FLT4 CASR 1849/4885PIK3CD 652/4885PIK3CA 523/4885
US-20180022758-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 CASR 3833/4885PIK3CD 122/4885PIK3CA 53/4885
US-11419875-B2 Compounds and compositions for treating hematological disorders IRAK4, FLT3, IRAK3 CASR 4724/4885PIK3CD 70/4885PIK3CA 48/4885
US-20230331740-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 CASR 4050/4885PIK3CD 148/4885PIK3CA 64/4885
US-10758518-B2 Compounds and compositions for treating hematological disorders IRAK4, IRAK2, JAK2 CASR 4672/4885PIK3CD 130/4885PIK3CA 228/4885
US-20190134010-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL DISORDERS IRAK4, IRAK2, JAK2 CASR 4672/4885PIK3CD 130/4885PIK3CA 228/4885

“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.