SCHEMBL25948191

SCHEMBL25948191

C[C@@H](O)CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CN(C)C5=O)nc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.76
CDK4 P11802 18/20 0.76
CCND1 P24385 18/20 0.76
CCNE1 P24864 5/20 0.66
CCNT1 O60563 2/20 0.59
CCND3 P30281 2/20 0.59
CDK9 P50750 2/20 0.59
CDK6 Q00534 2/20 0.59
TTK P33981 1/20 0.59
FLT3 P36888 1/20 0.59
CCNH P51946 1/20 0.59
NEK10 Q6ZWH5 1/20 0.59
ULK2 Q8IYT8 1/20 0.59
NUAK2 Q9H093 1/20 0.59

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
SCHEMBL25948054 1.00 CDK2 (0.76) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL25948119 0.89 CDK4 (0.78) CDK2CDK4CCND1
SCHEMBL25948069 0.89 CDK4 (0.78) CDK2CDK4CCND1
SCHEMBL25948201 0.88 CDK2 (0.75) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL25948251 0.88 CDK4 (0.77) CDK2CDK4CCND1
SCHEMBL25948336 0.88 CDK4 (0.77) CDK2CDK4CCND1
SCHEMBL25948449 0.87 CDK2 (0.74) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL16074606 0.87 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL16074644 0.87 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL25948177 0.85 CDK2 (0.73) CDK2CDK4CCND1CCNE1CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248733-A1 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2023-08-10 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 (1 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-20230248733-A1 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS MKI67, PCNA, HRAS CDK2 69/4885CDK4 16/4885CCND1 36/4885

“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.