SCHEMBL21877674

SCHEMBL21877674

CC(=O)Nc1cc(N[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)n2ncc(Cl)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.43
▸ CDK9 P50750 4/20 0.43
▸ CCNT1 O60563 3/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ CDK4 P11802 2/20 0.43
▸ CCNA2 P20248 2/20 0.43
▸ CCND1 P24385 2/20 0.43
▸ CCNE1 P24864 2/20 0.43
▸ CDK7 P50613 2/20 0.43
▸ CCNH P51946 2/20 0.43
▸ CCNA1 P78396 2/20 0.43
▸ CDK3 Q00526 2/20 0.43
▸ CDK6 Q00534 2/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ CDK5R1 Q15078 2/20 0.43
▸ CSNK2A1 P68400 5/20 0.42
▸ CSNK2B P67870 5/20 0.42
▸ CSNK2A2 P19784 4/20 0.42
▸ BTK Q06187 1/20 0.41
▸ KCNH2 Q12809 7/20 0.41

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
SCHEMBL21877653 0.89 CDK9 (0.48) CDK2CDK9CCNT1CDK1CDK4
SCHEMBL26871370 0.83 CDK9 (0.52) CDK2CDK9CCNT1CDK1CDK4
SCHEMBL21877709 0.83 CDK9 (0.52) CDK2CDK9CCNT1CDK1CDK4
SCHEMBL26874278 0.82 CDK9 (0.53) CDK2CDK9CCNT1CDK1CDK4
SCHEMBL26874218 0.82 CDK9 (0.53) CDK2CDK9CCNT1CDK1CDK4
SCHEMBL21877776 0.82 CDK2 (0.64) CDK2CDK9CCNT1CDK1CDK4
SCHEMBL29558307 0.81 CDK9 (0.43) CDK2CDK9CCNT1CDK1CDK4
SCHEMBL21946102 0.80 CSNK2B (0.52) CDK2CDK9CCNT1CDK1CDK4
SCHEMBL21946110 0.73 CCNT1 (0.66) CDK2CDK9CCNT1CDK1CDK4
SCHEMBL14413699 0.73 BTK (0.50) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132506-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2024-04-25 — — US disclosed
US-11845754-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity Kronos Bio, Inc. (US) 2023-12-19 — — US disclosed
US-20220002305-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2022-01-06 — — US disclosed
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-11155560-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity Kronos Bio, Inc. (US) 2021-10-26 — — US disclosed
EP-3873911-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2021-09-08 — — EP disclosed
US-20200131189-A1 Compounds, Compositions, and Methods for Modulating CDK9 Activity IGNOTA LABS LIMITED (GB) 2020-04-30 — — 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 (5 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 CDK2 8/4885CDK9 1/4885CCNT1 55/4885
US-20240132506-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY CDK9, CDK19, CDK7 CDK2 8/4885CDK9 1/4885CCNT1 55/4885
US-11845754-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity CDK9, CDK19, CDK7 CDK2 9/4885CDK9 1/4885CCNT1 40/4885
US-20220002305-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY CDK9, CDK19, CDK7 CDK2 8/4885CDK9 1/4885CCNT1 55/4885
US-11155560-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity CDK9, CDK19, CDK7 CDK2 9/4885CDK9 1/4885CCNT1 40/4885

“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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