SCHEMBL17878686

SCHEMBL17878686

C=CC(=O)N1CCC[C@@H](C(=O)Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 14/20 0.63
CDK2 P24941 3/20 0.63
CDK7 P50613 7/20 0.63
CCNH P51946 7/20 0.63
MNAT1 P51948 7/20 0.63
CCNT1 O60563 1/20 0.63
CCNA2 P20248 1/20 0.63
CDK9 P50750 1/20 0.63
CCNA1 P78396 1/20 0.63
MELK Q14680 2/20 0.56
HIPK4 Q8NE63 1/20 0.56
PLK4 O00444 1/20 0.52
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52
GAK O14976 1/20 0.52
RPS6KA5 O75582 1/20 0.52
RPS6KA4 O75676 1/20 0.52
STK16 O75716 1/20 0.52
PAK3 O75914 1/20 0.52
CDKL5 O76039 1/20 0.52

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
SCHEMBL17872169 1.00 PAK4 (0.63) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL20741168 1.00 PAK4 (0.63) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL20741172 1.00 PAK4 (0.63) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL17877928 1.00 PAK4 (0.63) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL20741179 1.00 PAK4 (0.63) PAK4CDK2CDK7CCNHMNAT1
Trifluoroacetic Acid SCHEMBL31220769 0.96 CDK7 (0.59) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL20754672 0.93 CDK7 (0.56) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL17877931 0.92 PAK4 (0.68) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL20741171 0.92 PAK4 (0.68) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL17878780 0.92 CDK7 (0.67) PAK4CDK2CDK7CCNHMNAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3236959-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2025-09-24 EP disclosed
US-12168663-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-12-17 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
US-20220024929-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-01-27 US disclosed
US-20220024929-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-01-27 US disclosed
US-20210115051-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-22 US disclosed
US-20210115051-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-22 US disclosed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US disclosed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US disclosed
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-07 US disclosed
US-20190055248-A1 INHIBITORS OF CYCLINDEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2019-02-21 US disclosed
US-20190055248-A1 INHIBITORS OF CYCLINDEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2019-02-21 US disclosed
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-17 US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
WO-2016201370-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-15 WO disclosed
WO-2016105528-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-06-30 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-12168663-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 PAK4 707/4885CDK2 7/4885CDK7 1/4885
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors CHUK, BCOR, MYC PAK4 428/4885CDK2 63/4885CDK7 130/4885
US-20220024929-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 PAK4 707/4885CDK2 7/4885CDK7 1/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC PAK4 428/4885CDK2 63/4885CDK7 130/4885
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC PAK4 428/4885CDK2 63/4885CDK7 130/4885
US-20190055248-A1 INHIBITORS OF CYCLINDEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 PAK4 438/4885CDK2 7/4885CDK7 1/4885
US-20210115051-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 PAK4 707/4885CDK2 7/4885CDK7 1/4885
US-20230114207-A1 THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER CDK7, CDC7, CDK8 PAK4 355/4885CDK2 17/4885CDK7 1/4885
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 PAK4 707/4885CDK2 7/4885CDK7 1/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC PAK4 428/4885CDK2 63/4885CDK7 130/4885

“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.