SCHEMBL21946126

SCHEMBL21946126

CC(C)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C#N)c2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 14/20 0.72
▸ CDK9 P50750 14/20 0.72
▸ CDK4 P11802 7/20 0.72
▸ CCND1 P24385 7/20 0.72
▸ CDK2 P24941 7/20 0.72
▸ CDK7 P50613 5/20 0.72
▸ CCNH P51946 5/20 0.72
▸ CCNE1 P24864 4/20 0.72
▸ CCNA1 P78396 4/20 0.72
▸ CDK3 Q00526 4/20 0.72
▸ CDK1 P06493 3/20 0.72
▸ CCNA2 P20248 3/20 0.72
▸ CDK6 Q00534 3/20 0.72
▸ CDK5 Q00535 3/20 0.72
▸ CDK5R1 Q15078 3/20 0.72
▸ CCNC P24863 2/20 0.60
▸ CDK8 P49336 1/20 0.60
▸ CSNK2A1 P68400 3/20 0.49
▸ CCNK O75909 1/20 0.48
▸ CDK14 O94921 1/20 0.48

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
SCHEMBL26867735 0.88 CCNT1 (0.56) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL21946122 0.84 CDK9 (1.00) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL23752480 0.77 CDK2 (1.00) CDK2CSNK2A1GSK3B
SCHEMBL26871882 0.77 CDK9 (0.66) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL21877738 0.76 CCNT1 (1.00) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL21877698 0.76 CCNT1 (1.00) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL21877660 0.76 CCNT1 (1.00) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL26874256 0.74 CDK9 (0.82) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL26874107 0.74 CDK9 (0.82) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL26871568 0.74 CDK9 (0.62) CCNT1CDK9CDK4CCND1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002305-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2022-01-06 — — US disclosed
US-11155560-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity Kronos Bio, Inc. (US) 2021-10-26 — — US disclosed
US-20200131189-A1 Compounds, Compositions, and Methods for Modulating CDK9 Activity IGNOTA LABS LIMITED (GB) 2020-04-30 — — 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 (3 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-20200131189-A1 Compounds, Compositions, and Methods for Modulating CDK9 Activity CDK9, CDK19, CDK7 CCNT1 55/4885CDK9 1/4885CDK4 11/4885
US-20220002305-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY CDK9, CDK19, CDK7 CCNT1 55/4885CDK9 1/4885CDK4 11/4885
US-11155560-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity CDK9, CDK19, CDK7 CCNT1 40/4885CDK9 1/4885CDK4 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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