SCHEMBL21877682

SCHEMBL21877682

CC(C)c1cc(N[C@@H]2CCOC2)n2nccc2n1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 20/20 0.82
CDK9 P50750 20/20 0.82
CDK4 P11802 6/20 0.69
CCND1 P24385 6/20 0.69
CDK7 P50613 3/20 0.69
CCNH P51946 3/20 0.69
CDK2 P24941 4/20 0.64
CCNA1 P78396 4/20 0.64
CDK1 P06493 3/20 0.64
CCNA2 P20248 3/20 0.64
CCNE1 P24864 3/20 0.64
CDK3 Q00526 3/20 0.64
CDK5 Q00535 1/20 0.64
CDK5R1 Q15078 1/20 0.64

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
SCHEMBL21877736 0.85 CCNT1 (1.00) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL21877782 0.85 CCNT1 (0.95) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL21877697 0.84 CCNT1 (0.93) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL21946521 0.82 CCNT1 (1.00) CCNT1CDK9CDK4CCND1CDK7
Hydrochloric Acid SCHEMBL21877788 0.81 CCNT1 (0.98) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL24174538 0.81 CCNT1 (1.00) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL21877687 0.81 CCNT1 (1.00) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL21946500 0.81 CCNT1 (1.00) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL24418847 0.80 CCNT1 (0.72) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL21877660 0.80 CCNT1 (1.00) CCNT1CDK9CDK4CCND1CDK7

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 10 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
CN-112996790-B Compounds, compositions and methods for modulating CDK9 activity 克洛诺斯生物公司 2023-11-03 CN 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 CCNT1 55/4885CDK9 1/4885CDK4 11/4885
US-20240132506-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY CDK9, CDK19, CDK7 CCNT1 55/4885CDK9 1/4885CDK4 11/4885
US-11845754-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity CDK9, CDK19, CDK7 CCNT1 40/4885CDK9 1/4885CDK4 12/4885
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.