SCHEMBL14979765

SCHEMBL14979765

CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 18/20 1.00
CCNH P51946 17/20 1.00
CDK5 Q00535 4/20 1.00
CDK5R1 Q15078 3/20 1.00
CDK1 P06493 2/20 1.00
CDK2 P24941 2/20 1.00
CDK9 P50750 2/20 1.00
MNAT1 P51948 2/20 1.00
CDK13 Q14004 2/20 1.00
MAP3K11 Q16584 2/20 1.00
CDK12 Q9NYV4 2/20 1.00
CCNT1 O60563 1/20 1.00
CCNK O75909 1/20 1.00
CCNB1 P14635 1/20 1.00
CCNA2 P20248 1/20 1.00
MAPK8 P45983 1/20 1.00
MAPK9 P45984 1/20 1.00
CDK8 P49336 1/20 0.91

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
SCHEMBL29434968 1.00 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL23682983 1.00 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL18229934 1.00 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL29355500 1.00 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
Hydrochloric Acid SCHEMBL29867414 0.99 CDK7 (0.99) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL18313531 0.95 CDK7 (0.94) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL30337868 0.95 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL18313553 0.95 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL29355486 0.95 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL18313499 0.95 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023009833-A9 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-11-23 WO disclosed
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US disclosed
US-20230114207-A1 THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-13 US disclosed
WO-2022126000-A1 METHODS AND COMPOUNDS FOR MODULATING MYOTONIC DYSTROPHY 1 Design Therapeutics, Inc. (US) 2022-06-16 WO disclosed
US-20220153730-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-19 US disclosed
US-20210300911-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-09-30 US disclosed
WO-2021133601-A1 THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-01 WO disclosed
WO-2021121390-A1 HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND APPLICATION THEREOF 苏州信诺维医药科技股份有限公司 2021-06-24 WO disclosed
CN-112716957-A Application of CDK7 targeted inhibitor in preparation of medicine for treating cytokine release syndrome caused by CAR-T treatment 复旦大学附属肿瘤医院 2021-04-30 CN disclosed
US-10981903-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-20 US disclosed
US-20180135134-A1 TARGETED SELECTION OF PATIENTS FOR TREATMENT WITH CORTISTATIN DERIVATIVES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-17 US disclosed
EP-3294418-A1 TARGETED SELECTION OF PATIENTS FOR TREATMENT WITH CORTISTATIN DERIVATIVES President and Fellows of Harvard College (US) 2018-03-21 EP disclosed
WO-2017142621-A1 CORTISTATIN ANALOGS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 WO disclosed
WO-2017112823-A1 TARGETED SELECTION OF PATIENTS FOR TREATMENT WITH SPECIFIC CORTISTATIN DERIVATIVES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-29 WO disclosed
WO-2017112815-A1 CORTISTATIN ANALOGS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-29 WO disclosed
US-20160368910-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-22 US disclosed
WO-2016182904-A1 TARGETED SELECTION OF PATIENTS FOR TREATMENT WITH CORTISTATIN DERIVATIVES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-17 WO disclosed
US-9382239-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-07-05 US disclosed
US-20140309249-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) Dana-Farber Cancer Intitute, Inc. (US) 2014-10-16 US disclosed
WO-2013074986-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-05-23 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 (8 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-10981903-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) CNKSR1, MAPK1, MAP3K1 CDK7 129/4885CCNH 292/4885CDK5 62/4885
US-20210300911-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 CDK7 129/4885CCNH 292/4885CDK5 62/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 CDK7 2189/4885CCNH 2179/4885CDK5 213/4885
US-20220153730-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 CDK7 129/4885CCNH 292/4885CDK5 62/4885
US-20160368910-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 CDK7 129/4885CCNH 292/4885CDK5 62/4885
US-20140309249-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 CDK7 129/4885CCNH 292/4885CDK5 62/4885
US-20230114207-A1 THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER CDK7, CDC7, CDK8 CDK7 1/4885CCNH 45/4885CDK5 18/4885
US-20180135134-A1 TARGETED SELECTION OF PATIENTS FOR TREATMENT WITH CORTISTATIN DERIVATIVES RUNX1, CTTN, CBFB CDK7 2638/4885CCNH 2281/4885CDK5 2087/4885

“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.