SCHEMBL18313610

SCHEMBL18313610

Cc1ccc(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)cc1NC(=O)c1ccc(NC(=O)/C=C/CN(C)C)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 16/20 0.90
CCNH P51946 15/20 0.90
CDK5 Q00535 4/20 0.83
CDK5R1 Q15078 3/20 0.83
CDK1 P06493 2/20 0.83
CDK2 P24941 2/20 0.83
CDK9 P50750 2/20 0.83
MNAT1 P51948 2/20 0.83
MAP3K11 Q16584 2/20 0.83
CDK13 Q14004 2/20 0.83
CDK12 Q9NYV4 2/20 0.83
CCNT1 O60563 1/20 0.83
CCNK O75909 1/20 0.83
CCNB1 P14635 1/20 0.83
CCNA2 P20248 1/20 0.83
MAPK8 P45983 1/20 0.83
MAPK9 P45984 1/20 0.83
CDK8 P49336 1/20 0.76
EGFR P00533 1/20 0.71
PIP4K2A P48426 1/20 0.70

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
SCHEMBL18313519 0.95 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL20288860 0.94 CDK7 (0.86) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL18313555 0.94 CDK7 (0.83) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL18313499 0.92 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL23682983 0.91 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL29434968 0.91 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL29355500 0.91 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL18229934 0.91 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL14979765 0.91 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
Hydrochloric Acid SCHEMBL29867414 0.90 CDK7 (0.99) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-10787436-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-29 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-20190100511-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-04 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20190100511-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK9, CDK6 CDK7 1/4885CCNH 32/4885CDK5 6/4885
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors CHUK, BCOR, MYC CDK7 130/4885CCNH 539/4885CDK5 144/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CDK7 130/4885CCNH 539/4885CDK5 144/4885
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CDK7 130/4885CCNH 539/4885CDK5 144/4885
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-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CDK7 130/4885CCNH 539/4885CDK5 144/4885
US-10787436-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK9, CDK6 CDK7 1/4885CCNH 32/4885CDK5 6/4885

“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.