SCHEMBL20926967

SCHEMBL20926967

CC(C)N1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=S)nc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.82
CDK4 P11802 18/20 0.82
CCND1 P24385 18/20 0.82
CCND3 P30281 3/20 0.82
CDK6 Q00534 3/20 0.82
CCNT1 O60563 2/20 0.82
CDK9 P50750 2/20 0.82
TTK P33981 1/20 0.82
FLT3 P36888 1/20 0.82
CCNH P51946 1/20 0.82
NEK10 Q6ZWH5 1/20 0.82
ULK2 Q8IYT8 1/20 0.82
NUAK2 Q9H093 1/20 0.82
CCNE1 P24864 7/20 0.81

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
SCHEMBL22280184 0.91 CDK2 (0.81) CDK2CDK4CCND1CCND3CDK6
Lerociclib SCHEMBL22832157 0.90 CDK2 (1.00) CDK2CDK4CCND1CCND3CDK6
SCHEMBL19036390 0.90 CDK2 (0.82) CDK2CDK4CCND1CCND3CDK6
Lerociclib SCHEMBL30175009 0.90 CDK2 (1.00) CDK2CDK4CCND1CCND3CDK6
Lerociclib SCHEMBL16036885 0.90 CDK2 (1.00) CDK2CDK4CCND1CCND3CDK6
Lerociclib SCHEMBL23711495 0.90 CDK2 (0.98) CDK2CDK4CCND1CCND3CDK6
Lerociclib SCHEMBL29409995 0.90 CDK2 (0.98) CDK2CDK4CCND1CCND3CDK6
Lerociclib SCHEMBL29409994 0.90 CDK2 (0.98) CDK2CDK4CCND1CCND3CDK6
SCHEMBL15249273 0.89 CDK2 (1.00) CDK2CDK4CCND1CCND3CDK6
SCHEMBL20926942 0.88 CDK2 (0.81) CDK2CDK4CCND1CCND3CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2020-07-30 US disclosed
US-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2019-04-25 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 (2 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-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD CDK2 35/4885CDK4 43/4885CCND1 132/4885
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD CDK2 35/4885CDK4 43/4885CCND1 132/4885

“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.