Sugi Predict

Sugi Predict / Compounds / SCHEMBL17872117

SCHEMBL17872117

SCHEMBL17872117

C=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nn(C(=O)O)c4c3CN(C(=O)NC(CN(C)C)c3ccccc3)C4(C)C)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 9/20 0.76
▸ CCNH P51946 9/20 0.76
▸ MNAT1 P51948 9/20 0.76
▸ CDK2 P24941 3/20 0.76
▸ MELK Q14680 3/20 0.76
▸ HIPK4 Q8NE63 1/20 0.76
▸ CCNT1 O60563 1/20 0.64
▸ CCNA2 P20248 1/20 0.64
▸ CDK9 P50750 1/20 0.64
▸ CCNA1 P78396 1/20 0.64
▸ PAK4 O96013 11/20 0.50
▸ MAPK1 P28482 2/20 0.42
▸ RPS6KA1 Q15418 2/20 0.42
▸ PLK4 O00444 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ GAK O14976 1/20 0.40
▸ RPS6KA5 O75582 1/20 0.40
▸ RPS6KA4 O75676 1/20 0.40
▸ STK16 O75716 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
SCHEMBL20741164 1.00 CDK7 (0.76) CDK7CCNHMNAT1CDK2MELK
SCHEMBL17872116 0.94 CDK7 (0.67) CDK7CCNHMNAT1CDK2MELK
SCHEMBL31220814 0.93 CDK7 (0.71) CDK7CCNHMNAT1CDK2MELK
SCHEMBL17872104 0.91 CDK7 (0.61) CDK7CCNHMNAT1CDK2MELK
SCHEMBL20741173 0.91 CDK7 (0.61) CDK7CCNHMNAT1CDK2MELK
SCHEMBL20741127 0.88 CDK7 (0.58) CDK7CCNHMNAT1CDK2MELK
SCHEMBL20741131 0.88 CDK7 (0.58) CDK7CCNHMNAT1CDK2MELK
SCHEMBL17872161 0.88 CDK7 (0.58) CDK7CCNHMNAT1CDK2MELK
SCHEMBL23260759 0.88 CDK7 (0.69) CDK7CCNHMNAT1CDK2MELK
SCHEMBL17872131 0.86 CDK7 (1.00) CDK7CCNHMNAT1CDK2MELK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 — — US disclosed
US-20190055248-A1 INHIBITORS OF CYCLINDEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2019-02-21 — — US disclosed
EP-3236959-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Dana Farber Cancer Institute, Inc. (US) 2017-11-01 — — EP 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 (4 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-20220024929-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 35/4885MNAT1 206/4885
US-20190055248-A1 INHIBITORS OF CYCLINDEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 37/4885MNAT1 164/4885
US-20210115051-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 35/4885MNAT1 206/4885
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 35/4885MNAT1 206/4885

“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.