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SCHEMBL13031046

SCHEMBL13031046

Cc1ccc(Nc2ncc(C)c(Nc3cccc(S(=O)(=O)NC(C)(C)C)c3)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 15/20 0.74
▸ JAK2 O60674 8/20 0.74
▸ JAK1 P23458 6/20 0.74
▸ JAK3 P52333 4/20 0.74
▸ FLT3 P36888 4/20 0.74
▸ RET P07949 2/20 0.74
▸ WEE1 P30291 2/20 0.74
▸ BRDT Q58F21 2/20 0.74
▸ ALK Q9UM73 2/20 0.74
▸ BUB1B O60566 1/20 0.74
▸ BRD2 P25440 1/20 0.74
▸ BRD3 Q15059 1/20 0.74
▸ HDAC1 Q13547 4/20 0.69
▸ TYK2 P29597 3/20 0.68
▸ BMPR1B O00238 1/20 0.68
▸ PLK4 O00444 1/20 0.68
▸ STK25 O00506 1/20 0.68
▸ CIT O14578 1/20 0.68
▸ RIOK3 O14730 1/20 0.68
▸ CHEK1 O14757 1/20 0.68

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
SCHEMBL30565204 0.95 BRD4 (0.74) BRD4JAK2JAK1JAK3FLT3
SCHEMBL25382998 0.95 BRD4 (0.74) BRD4JAK2JAK1JAK3FLT3
SCHEMBL30565206 0.95 BRD4 (0.74) BRD4JAK2JAK1JAK3FLT3
SCHEMBL13031088 0.94 BRD4 (0.73) BRD4JAK2JAK1JAK3FLT3
SCHEMBL13031062 0.92 BRD4 (0.71) BRD4JAK2JAK1JAK3FLT3
SCHEMBL13031091 0.90 BRD4 (0.69) BRD4JAK2JAK1JAK3FLT3
SCHEMBL20288209 0.90 JAK2 (0.75) BRD4JAK2JAK1JAK3FLT3
SCHEMBL17916002 0.90 BRD4 (0.70) BRD4JAK2JAK1JAK3FLT3
SCHEMBL14389892 0.90 BRD4 (0.69) BRD4JAK2JAK1JAK3FLT3
SCHEMBL20778927 0.89 JAK2 (0.74) BRD4JAK2JAK1JAK3FLT3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 — — WO disclosed
WO-2023066350-A1 CRBN E3 LIGASE LIGAND COMPOUND, PROTEIN DEGRADING AGENT DEVELOPED ON THE BASIS OF LIGAND COMPOUND, AND THEIR APPLICATIONS 标新生物医药科技(上海)有限公司 2023-04-27 — — WO disclosed
US-11345714-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2022-05-31 — — US disclosed
US-20210139500-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. (US) 2021-05-13 — — US disclosed
US-10927104-B2 Ether compounds and uses thereof BIOTHERYX, INC. (US) 2021-02-23 — — US disclosed
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2021-01-12 — — US disclosed
US-20200231582-A1 ETHER COMPOUNDS AND USES THEREOF BIOTHERYX, INC. 2020-07-23 — — US disclosed
US-10336771-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2019-07-02 — — US disclosed
WO-2019040274-A1 ETHER COMPOUNDS AND USES THEREOF BIOTHERYX, INC. (US) 2019-02-28 — — WO disclosed
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2018-08-07 — — US disclosed
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF Bio TheryX, Inc. 2018-06-21 — — US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 — — US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 — — 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 (9 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-10927104-B2 Ether compounds and uses thereof EPCAM, ICAM1, SELE BRD4 483/4885JAK2 118/4885JAK1 786/4885
US-11345714-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 BRD4 1090/4885JAK2 1002/4885JAK1 39/4885
US-20210139500-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, CKS2 BRD4 1225/4885JAK2 1050/4885JAK1 49/4885
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 BRD4 1090/4885JAK2 1002/4885JAK1 39/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 BRD4 142/4885JAK2 1/4885JAK1 4/4885
US-10336771-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 BRD4 1090/4885JAK2 1002/4885JAK1 39/4885
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 BRD4 1090/4885JAK2 1002/4885JAK1 39/4885
US-10040804-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 BRD4 1090/4885JAK2 1002/4885JAK1 39/4885
US-20200231582-A1 ETHER COMPOUNDS AND USES THEREOF EPCAM, ICAM1, SELE BRD4 483/4885JAK2 118/4885JAK1 786/4885

“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.