SCHEMBL25949433

SCHEMBL25949433

CC[C@H](C)C(CNC(=O)OC(C)(C)C)Nc1nc(C)ncc1Br

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.35
CDK2 P24941 8/20 0.35
KDR P35968 8/20 0.35
BRD4 O60885 1/20 0.35
SYK P43405 1/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
PCSK9 Q8NBP7 1/20 0.34
IGF1R P08069 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
EGFR P00533 1/20 0.34
REN P00797 1/20 0.34
CTSD P07339 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL2722934 0.89 STK17B (0.47) CDK1CDK2KDRBRD4SYK
SCHEMBL18495142 0.89 STK17B (0.47) CDK1CDK2KDRBRD4SYK
SCHEMBL20584280 0.89 STK17B (0.47) CDK1CDK2KDRBRD4SYK
SCHEMBL2722937 0.89 STK17B (0.47) CDK1CDK2KDRBRD4SYK
SCHEMBL25949451 0.83 STK17B (0.37) CDK1CDK2KDRBRD4SYK
SCHEMBL25949412 0.82 AAK1 (0.41) CDK1CDK2KDRBRD4SYK
SCHEMBL2722846 0.79 STK17B (0.50) CDK1CDK2KDRBRD4SYK
SCHEMBL29437366 0.79 STK17B (0.50) CDK1CDK2KDRBRD4SYK
SCHEMBL25949191 0.75 STK17B (0.50) BRD4STK17BSTK17ACKS1BSKP1
SCHEMBL21967071 0.75 MEN1 (0.38) CDK1CDK2KDRSTK17BSTK17A

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 CDK1 98/4885CDK2 69/4885KDR 3740/4885

“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.