SCHEMBL21877657

SCHEMBL21877657

CCC(CC)c1cc(Cl)n2nccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.56
▸ CCNT1 O60563 10/20 0.50
▸ CDK9 P50750 10/20 0.50
▸ CCNK O75909 1/20 0.50
▸ CDK14 O94921 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ CDK4 P11802 1/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CCND1 P24385 1/20 0.50
▸ CCNC P24863 1/20 0.50
▸ CCNE1 P24864 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CDK7 P50613 1/20 0.50
▸ CCNH P51946 1/20 0.50
▸ CCNA1 P78396 1/20 0.50
▸ CDK3 Q00526 1/20 0.50
▸ CDK6 Q00534 1/20 0.50
▸ CDK5 Q00535 1/20 0.50
▸ CDK17 Q00537 1/20 0.50

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
SCHEMBL12953173 0.86 PDE10A (0.54) PDE10ACCNT1CDK9CCNKCDK14
SCHEMBL24418622 0.83 CCNT1 (0.51) PDE10ACCNT1CDK9CCNKCDK14
SCHEMBL26874521 0.81 CCNT1 (0.53) PDE10ACCNT1CDK9CCNKCDK14
SCHEMBL26871014 0.80 PDE10A (0.51) PDE10ACCNT1CDK9CCNKCDK14
SCHEMBL12953629 0.79 PDE10A (0.47) PDE10ACCNT1CDK9CCNKCDK14
SCHEMBL31465470 0.79 PDE10A (0.61) PDE10ACCNT1CDK9CDK4CCND1
SCHEMBL17690916 0.79 PDE10A (0.49) PDE10ACCNT1CDK9CDK4CCND1
SCHEMBL14545874 0.78 PDE10A (0.49) PDE10ACCNT1CDK9CCNKCDK14
SCHEMBL12978823 0.76 PDE10A (0.47) PDE10ACCNT1CDK9CDK1CDK4
SCHEMBL7434807 0.76 PDE10A (0.61) PDE10ACCNT1CDK9CDK2CDK7

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 PDE10A 698/4885CCNT1 55/4885CDK9 1/4885
US-20240132506-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY CDK9, CDK19, CDK7 PDE10A 698/4885CCNT1 55/4885CDK9 1/4885
US-11845754-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity CDK9, CDK19, CDK7 PDE10A 929/4885CCNT1 40/4885CDK9 1/4885
US-20220002305-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY CDK9, CDK19, CDK7 PDE10A 698/4885CCNT1 55/4885CDK9 1/4885
US-11155560-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity CDK9, CDK19, CDK7 PDE10A 929/4885CCNT1 40/4885CDK9 1/4885

“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.

Send feedback