SCHEMBL21946125

SCHEMBL21946125

N[C@H]1CC[C@H](Nc2cc(C3CC3)nc3ccnn23)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 20/20 0.70
▸ CDK7 P50613 8/20 0.70
▸ CDK2 P24941 6/20 0.70
▸ CDK13 Q14004 2/20 0.70
▸ CDK12 Q9NYV4 2/20 0.70
▸ CCNT1 O60563 19/20 0.69
▸ CDK4 P11802 8/20 0.69
▸ CCND1 P24385 8/20 0.69
▸ CCNH P51946 7/20 0.67
▸ CCNE1 P24864 5/20 0.66
▸ CCNA1 P78396 5/20 0.66
▸ CDK3 Q00526 5/20 0.66
▸ CDK1 P06493 4/20 0.66
▸ CCNA2 P20248 4/20 0.66
▸ CDK6 Q00534 3/20 0.66
▸ CDK5 Q00535 2/20 0.65
▸ CDK5R1 Q15078 2/20 0.65
▸ CCNK O75909 1/20 0.65
▸ CDK14 O94921 1/20 0.65
▸ CYP1A2 P05177 1/20 0.65

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
SCHEMBL21877638 1.00 CDK9 (0.70) CDK9CDK7CDK2CDK13CDK12
SCHEMBL21946111 0.95 CDK9 (0.67) CDK9CDK7CDK2CDK13CDK12
SCHEMBL21877775 0.95 CDK9 (0.67) CDK9CDK7CDK2CDK13CDK12
SCHEMBL21877662 0.95 CDK9 (0.67) CDK9CDK7CDK2CDK13CDK12
SCHEMBL21946405 0.95 CDK9 (0.67) CDK9CDK7CDK2CDK13CDK12
SCHEMBL21946496 0.94 CDK9 (0.67) CDK9CDK7CDK2CDK13CDK12
SCHEMBL21946482 0.94 CDK9 (0.66) CDK9CDK7CDK2CDK13CDK12
Hydrochloric Acid SCHEMBL21877723 0.94 CDK9 (0.66) CDK9CDK7CDK2CDK13CDK12
SCHEMBL21946101 0.90 CDK9 (0.64) CDK9CDK7CDK2CDK13CDK12
SCHEMBL21946100 0.89 CDK9 (0.62) CDK9CDK7CDK2CDK13CDK12

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 1/4885CDK7 3/4885CDK2 8/4885
US-20220002305-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY CDK9, CDK19, CDK7 CDK9 1/4885CDK7 3/4885CDK2 8/4885
US-11155560-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity CDK9, CDK19, CDK7 CDK9 1/4885CDK7 3/4885CDK2 9/4885

“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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