SCHEMBL21436554

SCHEMBL21436554

CC(C)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.49
JAK2 O60674 1/20 0.46
MAPK13 O15264 3/20 0.43
MAPK12 P53778 3/20 0.43
MAPK11 Q15759 3/20 0.43
DDR2 Q16832 1/20 0.43
CDK8 P49336 1/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL31165902 0.88 MAPK14 (0.46) MAPK14JAK2MAPK13MAPK12MAPK11
SCHEMBL21437173 0.88 MAPK14 (0.46) MAPK14JAK2MAPK13MAPK12MAPK11
SCHEMBL21436392 0.86 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3382233 0.83 RET (0.50) MAPK14MAPK11
SCHEMBL3478663 0.81 CDK8 (0.51) MAPK14JAK2MAPK13MAPK12MAPK11
SCHEMBL21436390 0.80 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL31165901 0.80 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL21436866 0.79 CDK8 (0.53) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL21439006 0.77 CDK8 (0.50) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL21436439 0.76 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774797-B1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF MERCK PATENT GMBH (DE) 2025-11-19 EP disclosed
CN-112236429-B Heteroaryl compounds useful as type II IRAK inhibitors and uses thereof 默克专利有限公司 2024-10-11 CN disclosed
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2021-06-03 US disclosed
US-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2021-06-03 US disclosed
EP-3774797-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF Merck Patent GmbH (DE) 2021-02-17 EP disclosed
CN-112236429-A Heteroaryl compounds as type II IRAK inhibitors and uses thereof 默克专利有限公司 2021-01-15 CN disclosed
WO-2019192962-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF MERCK PATENT GMBH (DE) 2019-10-10 WO disclosed
WO-2019192962-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES HEREOF MERCK PATENT GMBH (DE) 2019-10-10 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 (2 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-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 MAPK14 888/4885JAK2 55/4885MAPK13 871/4885
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors IRAK2, IRAK3, IRAK1 MAPK14 791/4885JAK2 72/4885MAPK13 612/4885

“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.