SCHEMBL21946112

SCHEMBL21946112

CCC(CC)c1cc(NC2CCCC2)n2nccc2n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.74
▸ CDK9 P50750 20/20 0.74
▸ CDK7 P50613 4/20 0.74
▸ CCNH P51946 4/20 0.74
▸ CDK4 P11802 3/20 0.74
▸ CCND1 P24385 3/20 0.74
▸ CCNK O75909 1/20 0.74
▸ CDK14 O94921 1/20 0.74
▸ CYP1A2 P05177 1/20 0.74
▸ CDK1 P06493 1/20 0.74
▸ CCNA2 P20248 1/20 0.74
▸ CCNC P24863 1/20 0.74
▸ CCNE1 P24864 1/20 0.74
▸ CDK2 P24941 1/20 0.74
▸ CCNA1 P78396 1/20 0.74
▸ CDK3 Q00526 1/20 0.74
▸ CDK6 Q00534 1/20 0.74
▸ CDK5 Q00535 1/20 0.74
▸ CDK17 Q00537 1/20 0.74
▸ CDK18 Q07002 1/20 0.74

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
SCHEMBL21877672 0.89 CCNT1 (0.74) CCNT1CDK9CDK7CCNHCDK4
SCHEMBL26874389 0.87 CCNT1 (0.67) CCNT1CDK9CDK7CCNHCDK4
SCHEMBL24418611 0.86 CCNT1 (0.78) CCNT1CDK9CDK7CCNHCDK4
SCHEMBL21877782 0.86 CCNT1 (0.95) CCNT1CDK9CDK7CCNHCDK4
Istisociclib SCHEMBL30467857 0.85 CDK9 (1.00) CCNT1CDK9CDK7CCNHCDK4
Istisociclib SCHEMBL21877722 0.85 CDK9 (1.00) CCNT1CDK9CDK7CCNHCDK4
SCHEMBL24418553 0.85 CCNT1 (0.67) CCNT1CDK9CDK7CCNHCDK4
SCHEMBL21877697 0.85 CCNT1 (0.93) CCNT1CDK9CDK7CCNHCDK4
Istisociclib SCHEMBL29558490 0.84 CDK9 (0.98) CCNT1CDK9CDK7CCNHCDK4
Istisociclib SCHEMBL21877610 0.84 CDK9 (0.98) CCNT1CDK9CDK7CCNHCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023096922-A1 POLYMORPHIC AND SALT FORMS OF (LS,3S)-N1-(5-(PENTAN-3- YL)PYRAZOLO[L,5-A]PYRIMIDIN-7-YL)CYCLOPENTANE-L,3-DIAMINE Kronos Bio, Inc. (US) 2023-06-01 — — WO disclosed
US-20230158159-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-25 — — US disclosed
WO-2021216828-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-10-28 — — WO 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 1/4885CDK7 3/4885
US-20230158159-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF CDK9, CDK19, CRBN CCNT1 81/4885CDK9 1/4885CDK7 13/4885
US-11155560-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity CDK9, CDK19, CDK7 CCNT1 40/4885CDK9 1/4885CDK7 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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