SCHEMBL18072745

SCHEMBL18072745

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

nearest known ligand 0.88

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 20/20 0.88
▸ CCNH P51946 19/20 0.88
▸ CCNK O75909 16/20 0.88
▸ CDK9 P50750 16/20 0.88
▸ CDK12 Q9NYV4 16/20 0.88
▸ CCNT1 O60563 15/20 0.88
▸ CDK2 P24941 12/20 0.88
▸ MNAT1 P51948 11/20 0.88
▸ CDK13 Q14004 13/20 0.71
▸ CCNA2 P20248 11/20 0.71
▸ CDK3 Q00526 1/20 0.71
▸ RPS6KA3 P51812 1/20 0.69
▸ CDK1 P06493 1/20 0.65
▸ CCNB1 P14635 1/20 0.65
▸ MAPK8 P45983 1/20 0.65
▸ MAPK9 P45984 1/20 0.65
▸ CDK5 Q00535 1/20 0.65
▸ CDK5R1 Q15078 1/20 0.65
▸ MAP3K11 Q16584 1/20 0.65

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
SCHEMBL16665179 1.00 CDK7 (0.88) CDK7CCNHCCNKCDK9CDK12
SCHEMBL18047265 1.00 CDK7 (0.88) CDK7CCNHCCNKCDK9CDK12
SCHEMBL16665178 1.00 CDK7 (0.88) CDK7CCNHCCNKCDK9CDK12
SCHEMBL29366824 0.93 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK12
SCHEMBL17150697 0.93 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK12
SCHEMBL16654786 0.92 CDK7 (0.74) CDK7CCNHCCNKCDK9CDK12
SCHEMBL18072816 0.91 CDK7 (0.82) CDK7CCNHCCNKCDK9CDK12
SCHEMBL18072813 0.91 CDK7 (0.76) CDK7CCNHCCNKCDK9CDK12
SCHEMBL18072819 0.90 CDK7 (0.77) CDK7CCNHCCNKCDK9CDK12
SCHEMBL28349896 0.90 CDK7 (0.75) CDK7CCNHCCNKCDK9CDK12

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 5 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

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 42/4885CCNK 19/4885
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 CDK7 4/4885CCNH 42/4885CCNK 19/4885
US-20200197392-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX CDK7, CDK17, MTOR CDK7 1/4885CCNH 16/4885CCNK 12/4885
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 CDK7 4/4885CCNH 42/4885CCNK 19/4885

“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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