SCHEMBL20549548

SCHEMBL20549548

O=C(O)NC1(Cc2ccccc2)CCC[C@@H](Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 5/20 0.46
▸ CCNT1 O60563 4/20 0.46
▸ CDK9 P50750 4/20 0.46
▸ CCNH P51946 4/20 0.46
▸ MNAT1 P51948 4/20 0.46
▸ CDK2 P24941 6/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ HTR6 P50406 3/20 0.40
▸ MAPK8 P45983 6/20 0.38
▸ MAPK9 P45984 6/20 0.38
▸ MAPK10 P53779 5/20 0.38
▸ JUN P05412 5/20 0.38
▸ EGFR P00533 5/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37

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
SCHEMBL16654804 0.92 HTR6 (0.40) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20549312 0.85 CCNT1 (0.47) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20994616 0.84 CDK7 (0.46) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL16655188 0.84 CDK7 (0.46) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19024551 0.84 CDK7 (0.46) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19024485 0.84 CDK7 (0.46) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL21027469 0.84 CCNT1 (0.52) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17150461 0.83 CDK7 (0.43) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20994617 0.83 CDK7 (0.43) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17150411 0.83 CDK7 (0.51) CDK7CCNT1CDK9CCNHMNAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-11-08 — — 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 (1 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-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNT1 34/4885CDK9 3/4885

“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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