SCHEMBL20416407

SCHEMBL20416407

C=CC(=O)N1CCC(N2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.67
▸ CCNT1 O60563 7/20 0.67
▸ CDK9 P50750 7/20 0.67
▸ CDK7 P50613 7/20 0.67
▸ CCNH P51946 7/20 0.67
▸ MNAT1 P51948 6/20 0.67
▸ CCNA2 P20248 5/20 0.67
▸ MAPK8 P45983 12/20 0.66
▸ MAPK9 P45984 12/20 0.66
▸ JUN P05412 11/20 0.66
▸ MAPK10 P53779 9/20 0.66
▸ CCNK O75909 5/20 0.66
▸ CDK12 Q9NYV4 5/20 0.66
▸ CDK13 Q14004 2/20 0.66
▸ CCNE1 P24864 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
SCHEMBL20416408 0.89 CDK2 (0.71) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL12627366 0.89 CDK2 (0.77) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL20416104 0.89 CDK2 (0.65) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL20416395 0.88 CDK2 (0.73) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL20416416 0.87 CDK2 (0.71) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL20416177 0.87 CDK7 (0.63) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL19024537 0.87 CDK7 (0.63) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL17150703 0.87 CDK7 (0.63) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL17140868 0.87 CDK2 (0.71) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL17141193 0.87 CDK2 (0.71) CDK2CCNT1CDK9CDK7CCNH

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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 — — 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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK2 7/4885CCNT1 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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