SCHEMBL19040086

SCHEMBL19040086

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 10/20 0.51
▸ CCNH P51946 9/20 0.51
▸ EGFR P00533 7/20 0.46
▸ CDK9 P50750 3/20 0.46
▸ MNAT1 P51948 3/20 0.46
▸ CCNT1 O60563 2/20 0.46
▸ CDK1 P06493 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CDK5 Q00535 2/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CDK13 Q14004 2/20 0.41
▸ CDK12 Q9NYV4 2/20 0.41
▸ CCNK O75909 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ MAP3K11 Q16584 1/20 0.41
▸ BTK Q06187 1/20 0.39

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
SCHEMBL17141040 0.88 CDK7 (0.48) CDK7CCNHEGFRCDK9MNAT1
SCHEMBL18074097 0.85 CDK7 (0.56) CDK7CCNHEGFRCDK9MNAT1
SCHEMBL19040085 0.82 CDK7 (0.73) CDK7CCNHEGFRCDK9MNAT1
SCHEMBL20416126 0.80 EGFR (0.71) CDK7CCNHEGFRCDK9MNAT1
SCHEMBL15649053 0.80 CDK7 (0.55) CDK7CCNHEGFRCDK9MNAT1
SCHEMBL29613463 0.80 CDK7 (0.55) CDK7CCNHEGFRCDK9MNAT1
SCHEMBL19040099 0.78 CDK7 (0.60) CDK7CCNHCDK9MNAT1CCNT1
SCHEMBL19040089 0.76 CDK7 (0.46) CDK7CCNHEGFRCDK9MNAT1
SCHEMBL17141301 0.76 CDK7 (0.52) CDK7CCNHEGFRCDK9MNAT1
SCHEMBL19040122 0.75 CDK7 (0.43) CDK7CCNHEGFRCDK9MNAT1

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 31/4885EGFR 2448/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 31/4885EGFR 2448/4885

“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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