SCHEMBL17721722

SCHEMBL17721722

CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4ccc5ccn(C)c5n4)n3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 19/20 1.00
▸ CCNH P51946 19/20 1.00
▸ MAPK8 P45983 2/20 0.64
▸ MAPK9 P45984 2/20 0.64
▸ CDK1 P06493 2/20 0.64
▸ CDK2 P24941 2/20 0.64
▸ CDK9 P50750 2/20 0.64
▸ MNAT1 P51948 2/20 0.64
▸ CDK5 Q00535 2/20 0.64
▸ CCNT1 O60563 1/20 0.64
▸ CCNK O75909 1/20 0.64
▸ CCNB1 P14635 1/20 0.64
▸ CCNA2 P20248 1/20 0.64
▸ CDK13 Q14004 1/20 0.64
▸ CDK5R1 Q15078 1/20 0.64
▸ MAP3K11 Q16584 1/20 0.64
▸ CDK12 Q9NYV4 1/20 0.64
▸ MAPK10 P53779 1/20 0.58
▸ CDK8 P49336 1/20 0.58

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
SCHEMBL17721724 0.88 CDK7 (0.90) CDK7CCNHMAPK8MAPK9CDK1
SCHEMBL17721723 0.86 CDK7 (1.00) CDK7CCNHMAPK8MAPK9CDK1
SCHEMBL22472963 0.85 CDK7 (0.74) CDK7CCNHMAPK8MAPK9CDK1
SCHEMBL17721719 0.85 CDK7 (1.00) CDK7CCNHMAPK8MAPK9CDK1
SCHEMBL17721721 0.83 CDK7 (0.75) CDK7CCNHMAPK8MAPK9CDK1
SCHEMBL18313520 0.82 CDK7 (1.00) CDK7CCNHMAPK8MAPK9CDK1
SCHEMBL18313609 0.80 CDK7 (1.00) CDK7CCNHMAPK8MAPK9CDK1
SCHEMBL18313569 0.80 CDK7 (1.00) CDK7CCNHMAPK8MAPK9CDK1
SCHEMBL18313301 0.80 CDK7 (1.00) CDK7CCNHMAPK8MAPK9CDK1
SCHEMBL23609778 0.79 CDK7 (0.64) CDK7CCNHMAPK8MAPK9CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20200197392-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX THE BRIGHAM & WOMEN'S HOSPITAL, INC. (US) 2020-06-25 — — 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
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
US-20160122323-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-05-05 — — 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 (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-20190100511-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK9, CDK6 CDK7 1/4885CCNH 32/4885MAPK8 342/4885
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors CHUK, BCOR, MYC CDK7 130/4885CCNH 539/4885MAPK8 456/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CDK7 130/4885CCNH 539/4885MAPK8 456/4885
US-20200197392-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX CDK7, CDK17, MTOR CDK7 1/4885CCNH 16/4885MAPK8 588/4885
US-20160122323-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK9, CDK6 CDK7 1/4885CCNH 32/4885MAPK8 342/4885
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CDK7 130/4885CCNH 539/4885MAPK8 456/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CDK7 130/4885CCNH 539/4885MAPK8 456/4885
US-10787436-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK9, CDK6 CDK7 1/4885CCNH 32/4885MAPK8 342/4885

“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.

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