SCHEMBL16665145

SCHEMBL16665145

CN(C)C/C=C/C(=O)Nc1ccc(CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 18/20 0.74
▸ CCNH P51946 18/20 0.74
▸ CDK9 P50750 17/20 0.74
▸ CCNK O75909 17/20 0.74
▸ CDK12 Q9NYV4 16/20 0.74
▸ CCNT1 O60563 16/20 0.74
▸ CDK13 Q14004 14/20 0.74
▸ CDK2 P24941 12/20 0.74
▸ MNAT1 P51948 11/20 0.74
▸ CCNA2 P20248 11/20 0.74
▸ RPS6KA3 P51812 1/20 0.74
▸ CDK3 Q00526 1/20 0.64
▸ EGFR P00533 1/20 0.55

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
SCHEMBL17150692 0.93 CDK7 (0.70) CDK7CCNHCDK9CCNKCDK12
SCHEMBL20412368 0.93 CDK7 (0.70) CDK7CCNHCDK9CCNKCDK12
SCHEMBL18047352 0.92 CDK7 (0.78) CDK7CCNHCDK9CCNKCDK12
SCHEMBL18047354 0.92 CDK7 (0.78) CDK7CCNHCDK9CCNKCDK12
SCHEMBL16655229 0.87 CDK7 (0.63) CDK7CCNHCDK9CCNKCDK12
SCHEMBL19024733 0.86 CDK7 (0.75) CDK7CCNHCDK9CCNKCDK12
SCHEMBL20550001 0.86 CDK7 (0.75) CDK7CCNHCDK9CCNKCDK12
SCHEMBL19024734 0.86 CDK7 (0.75) CDK7CCNHCDK9CCNKCDK12
SCHEMBL18047327 0.85 CDK7 (0.81) CDK7CCNHCDK9CCNKCDK12
SCHEMBL18047326 0.85 CDK7 (0.81) CDK7CCNHCDK9CCNKCDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057956-B1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2021-05-05 — — EP disclosed
US-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-02 — — 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-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) PARAZA PHARMA, INC. (CA) 2019-01-31 — — US disclosed
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2016-09-15 — — US disclosed
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2016-09-15 — — US disclosed
WO-2015058140-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-23 — — 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 (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-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) CDK13, CDK3, CDK12 CDK7 4/4885CCNH 42/4885CDK9 16/4885
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 CDK7 4/4885CCNH 42/4885CDK9 16/4885
US-20200197392-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX CDK7, CDK17, MTOR CDK7 1/4885CCNH 16/4885CDK9 11/4885
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 CDK7 4/4885CCNH 42/4885CDK9 16/4885

“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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