SCHEMBL25949451

SCHEMBL25949451

Cc1ncc(Br)c(NC(CNC(=O)OC(C)(C)C)C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
IGF1R P08069 1/20 0.36
BRD4 O60885 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
PCSK9 Q8NBP7 1/20 0.34
CDK1 P06493 3/20 0.34
CDK2 P24941 3/20 0.34
KDR P35968 3/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SYK P43405 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SERPINE1 P05121 1/20 0.33
CKS1B P61024 2/20 0.32
SKP1 P63208 2/20 0.32
SKP2 Q13309 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL18493721 0.88 STK17B (0.51) STK17BSTK17AIGF1RBRD4AAK1
SCHEMBL2724800 0.88 STK17B (0.51) STK17BSTK17AIGF1RBRD4AAK1
SCHEMBL2724806 0.88 STK17B (0.51) STK17BSTK17AIGF1RBRD4AAK1
SCHEMBL25949412 0.84 AAK1 (0.41) STK17BSTK17AIGF1RBRD4AAK1
SCHEMBL25949433 0.83 CDK1 (0.35) STK17BSTK17AIGF1RBRD4AAK1
SCHEMBL25949191 0.79 STK17B (0.50) STK17BSTK17ABRD4MEN1GAA
SCHEMBL29437366 0.76 STK17B (0.50) STK17BSTK17AIGF1RBRD4AAK1
SCHEMBL2722846 0.76 STK17B (0.50) STK17BSTK17AIGF1RBRD4AAK1
SCHEMBL21967073 0.75 MEN1 (0.37) STK17BSTK17ACDK1CDK2KDR
SCHEMBL15724548 0.75 STK17B (0.52) STK17BSTK17AIGF1RAAK1PCSK9

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 STK17B 1802/4885STK17A 1642/4885IGF1R 3319/4885

“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.