SCHEMBL21946404

SCHEMBL21946404

CCC(C)c1cc(N[C@H]2CC[C@H](N)CC2)n2nccc2n1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 19/20 0.88
▸ CCNT1 O60563 18/20 0.88
▸ CDK4 P11802 5/20 0.79
▸ CCND1 P24385 5/20 0.79
▸ CDK7 P50613 5/20 0.79
▸ CCNH P51946 4/20 0.79
▸ CDK2 P24941 3/20 0.72
▸ CCNE1 P24864 2/20 0.72
▸ CCNA1 P78396 2/20 0.72
▸ CDK3 Q00526 2/20 0.72
▸ CDK13 Q14004 2/20 0.72
▸ CDK12 Q9NYV4 2/20 0.72
▸ CCNK O75909 1/20 0.72
▸ CDK14 O94921 1/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ CDK1 P06493 1/20 0.72
▸ CCNA2 P20248 1/20 0.72
▸ CCNC P24863 1/20 0.72
▸ CDK6 Q00534 1/20 0.72
▸ CDK5 Q00535 1/20 0.72

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
Hydrochloric Acid SCHEMBL21877611 0.99 CDK9 (0.86) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL21877624 0.94 CDK9 (1.00) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL21877818 0.94 CDK9 (1.00) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL21946397 0.94 CDK9 (1.00) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL21877586 0.94 CDK9 (1.00) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL24174775 0.90 CCNT1 (0.86) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL21877813 0.90 CCNT1 (0.86) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL21946501 0.90 CCNT1 (0.86) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL21877672 0.90 CCNT1 (0.74) CDK9CCNT1CDK4CCND1CDK7
SCHEMBL21946521 0.89 CCNT1 (1.00) CDK9CCNT1CDK4CCND1CDK7

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 CDK9 1/4885CCNT1 55/4885CDK4 11/4885
US-20220002305-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY CDK9, CDK19, CDK7 CDK9 1/4885CCNT1 55/4885CDK4 11/4885
US-11155560-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity CDK9, CDK19, CDK7 CDK9 1/4885CCNT1 40/4885CDK4 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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