SCHEMBL20286065

SCHEMBL20286065

C=CC(=C)Nc1cccc(Nc2cc(N3CCCCC3CCO)nc3c(CC)cnn23)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 7/20 0.87
▸ CDK2 P24941 7/20 0.87
▸ CDK7 P50613 4/20 0.87
▸ CDK12 Q9NYV4 4/20 0.87
▸ CCNE1 P24864 3/20 0.87
▸ CCNK O75909 3/20 0.87
▸ CCNT1 O60563 2/20 0.87
▸ CCNH P51946 2/20 0.87
▸ MNAT1 P51948 2/20 0.87
▸ CDK13 Q14004 2/20 0.87
▸ CDK1 P06493 6/20 0.57
▸ CDK5 Q00535 5/20 0.57
▸ GSK3A P49840 2/20 0.57
▸ GSK3B P49841 2/20 0.57
▸ TAOK1 Q7L7X3 2/20 0.57
▸ CCNT2 O60583 1/20 0.57
▸ BRD4 O60885 1/20 0.57
▸ CCNB2 O95067 1/20 0.57
▸ CCNE2 O96020 1/20 0.57
▸ CDK4 P11802 1/20 0.57

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
SCHEMBL18122702 1.00 CDK9 (0.87) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL18122657 1.00 CDK9 (0.87) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL25736240 0.94 CDK9 (0.80) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL20550154 0.93 CDK9 (1.00) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL18113959 0.93 CDK9 (1.00) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL18122697 0.93 CDK9 (1.00) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL22605976 0.90 CDK9 (0.83) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL18313469 0.90 CDK9 (0.83) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL18313436 0.88 CDK9 (0.89) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL20549428 0.87 CDK9 (0.76) CDK9CDK2CDK7CDK12CCNE1

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-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 — — US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 — — 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-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CDK9 89/4885CDK2 63/4885CDK7 130/4885
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK9 21/4885CDK2 6/4885CDK7 12/4885

“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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