SCHEMBL21946102

SCHEMBL21946102

CC(=O)Nc1cc(NC2CCCC2)n2ncc(Cl)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2B P67870 8/20 0.52
▸ KCNH2 Q12809 7/20 0.50
▸ CSNK2A1 P68400 8/20 0.49
▸ CSNK2A2 P19784 7/20 0.49
▸ CDK2 P24941 5/20 0.47
▸ GSK3B P49841 3/20 0.47
▸ HIPK2 Q9H2X6 2/20 0.47
▸ DYRK3 O43781 1/20 0.47
▸ PIM3 Q86V86 1/20 0.47
▸ CCNT1 O60563 3/20 0.45
▸ CDK9 P50750 3/20 0.45
▸ CDK1 P06493 2/20 0.45
▸ CDK4 P11802 2/20 0.45
▸ CCNA2 P20248 2/20 0.45
▸ CCND1 P24385 2/20 0.45
▸ CCNE1 P24864 2/20 0.45
▸ CDK7 P50613 2/20 0.45
▸ CCNH P51946 2/20 0.45
▸ CCNA1 P78396 2/20 0.45
▸ CDK3 Q00526 2/20 0.45

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
SCHEMBL21877776 0.86 CDK2 (0.64) CSNK2BKCNH2CSNK2A1CSNK2A2CDK2
SCHEMBL21877674 0.80 CDK2 (0.43) CSNK2BKCNH2CSNK2A1CSNK2A2CDK2
SCHEMBL24174228 0.79 CDK2 (0.50) CSNK2BCSNK2A1CSNK2A2CDK2GSK3B
SCHEMBL23992330 0.78 CDK9 (0.57) KCNH2CDK2CCNT1CDK9CDK1
SCHEMBL26874317 0.73 CCNT1 (0.60) CSNK2BCDK2GSK3BCCNT1CDK9
SCHEMBL26872835 0.73 CDK2 (0.46) CSNK2BCSNK2A2CDK2GSK3BCCNT1
SCHEMBL24418649 0.73 CCNT1 (0.46) CSNK2BCSNK2A1CSNK2A2CDK2GSK3B
SCHEMBL26873523 0.72 CCNT1 (0.45) CSNK2BCSNK2A1CSNK2A2CDK2GSK3B
SCHEMBL33377999 0.69 CSNK2B (0.60) CSNK2BCDK2GSK3BCCNT1CDK9
SCHEMBL22899498 0.69 RAB9A (0.51) CSNK2BKCNH2CSNK2A1CDK2CCNT1

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 CSNK2B 98/4885KCNH2 3335/4885CSNK2A1 99/4885
US-20220002305-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY CDK9, CDK19, CDK7 CSNK2B 98/4885KCNH2 3335/4885CSNK2A1 99/4885
US-11155560-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity CDK9, CDK19, CDK7 CSNK2B 342/4885KCNH2 3293/4885CSNK2A1 285/4885

“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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