SCHEMBL19040085

SCHEMBL19040085

CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cn(-c5ccccc5)c5ccccc45)n3)c2)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 17/20 0.73
▸ CCNH P51946 17/20 0.73
▸ CDK5 Q00535 3/20 0.62
▸ CDK1 P06493 2/20 0.62
▸ CDK2 P24941 2/20 0.62
▸ CDK9 P50750 2/20 0.62
▸ MNAT1 P51948 2/20 0.62
▸ CDK5R1 Q15078 2/20 0.62
▸ MAP3K11 Q16584 2/20 0.62
▸ CCNT1 O60563 1/20 0.62
▸ CCNK O75909 1/20 0.62
▸ CCNB1 P14635 1/20 0.62
▸ CCNA2 P20248 1/20 0.62
▸ MAPK8 P45983 1/20 0.62
▸ MAPK9 P45984 1/20 0.62
▸ CDK13 Q14004 1/20 0.62
▸ CDK12 Q9NYV4 1/20 0.62
▸ CDK8 P49336 1/20 0.61
▸ EGFR P00533 2/20 0.53
▸ IGF1R P08069 1/20 0.52

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
SCHEMBL19024448 0.90 CDK7 (0.70) CDK7CCNHCDK5CDK1CDK2
SCHEMBL17150571 0.90 CDK7 (0.70) CDK7CCNHCDK5CDK1CDK2
SCHEMBL18313520 0.84 CDK7 (1.00) CDK7CCNHCDK5CDK1CDK2
SCHEMBL17150572 0.84 CDK7 (0.87) CDK7CCNHCDK5CDK1CDK2
SCHEMBL19024466 0.84 CDK7 (0.87) CDK7CCNHCDK5CDK1CDK2
SCHEMBL19054705 0.83 CDK7 (0.64) CDK7CCNHCDK5CDK1CDK2
SCHEMBL19040086 0.82 CDK7 (0.51) CDK7CCNHCDK5CDK1CDK2
SCHEMBL17141331 0.81 CDK7 (0.61) CDK7CCNHCDK5CDK1CDK2
SCHEMBL15648063 0.79 CDK5 (0.72) CDK7CCNHCDK5CDK1CDK2
SCHEMBL15648061 0.79 CDK5 (0.72) CDK7CCNHCDK5CDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 — — US disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 — — 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 (2 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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 31/4885CDK5 11/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 31/4885CDK5 11/4885

“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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