SCHEMBL20286071

SCHEMBL20286071

C=CC(=C)Nc1cccc(Nc2nc(N[C@H]3CC[C@H](N(C)C)CC3)nc3c(CC)cnn23)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 13/20 0.61
▸ CDK7 P50613 5/20 0.43
▸ CCNH P51946 5/20 0.43
▸ MNAT1 P51948 5/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CCNK O75909 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CDK13 Q14004 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ MAPK3 P27361 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38

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
SCHEMBL18122693 0.93 CSNK2A1 (0.62) CSNK2A1CDK7CCNHMNAT1CCNT1
SCHEMBL20550095 0.93 CSNK2A1 (0.62) CSNK2A1CDK7CCNHMNAT1CCNT1
SCHEMBL21473914 0.89 CSNK2A1 (0.76) CSNK2A1CDK2CDK9CSNK2A2CSNK2B
SCHEMBL21473081 0.89 CDK7 (0.53) CSNK2A1CDK7CCNHMNAT1CDK2
SCHEMBL18313623 0.87 CSNK2A1 (0.56) CSNK2A1CDK7CCNHMNAT1CCNT1
SCHEMBL20549637 0.86 CSNK2A1 (0.57) CSNK2A1CCNE1CDK2
SCHEMBL18122696 0.86 CSNK2A1 (0.57) CSNK2A1CCNE1CDK2
SCHEMBL20286068 0.85 CDK2 (0.50) CSNK2A1CDK7CCNHMNAT1CCNT1
SCHEMBL20288878 0.84 CSNK2A1 (0.68) CSNK2A1CDK2CDK9CSNK2A2CSNK2B
SCHEMBL20549447 0.82 CDK7 (0.57) CSNK2A1CDK7CCNHMNAT1CCNT1

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 CSNK2A1 145/4885CDK7 130/4885CCNH 539/4885
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CSNK2A1 403/4885CDK7 12/4885CCNH 46/4885

“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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