SCHEMBL25949412

SCHEMBL25949412

Cc1ncc(Br)c(N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.41
BRD4 O60885 1/20 0.39
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SYK P43405 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
IGF1R P08069 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CDK1 P06493 2/20 0.34
CDK2 P24941 2/20 0.34

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
SCHEMBL2722859 0.88 STK17B (0.51) AAK1BRD4STK17BSTK17ANPSR1
SCHEMBL2724468 0.88 STK17B (0.51) AAK1BRD4STK17BSTK17ANPSR1
SCHEMBL2722858 0.88 STK17B (0.51) AAK1BRD4STK17BSTK17ANPSR1
SCHEMBL29437364 0.88 STK17B (0.51) AAK1BRD4STK17BSTK17ANPSR1
SCHEMBL25949583 0.86 AAK1 (0.43) AAK1BRD4STK17BSTK17ANPSR1
SCHEMBL25949451 0.84 STK17B (0.37) AAK1BRD4STK17BSTK17AMEN1
SCHEMBL25949433 0.82 CDK1 (0.35) AAK1BRD4STK17BSTK17ASYK
SCHEMBL25949191 0.78 STK17B (0.50) BRD4STK17BSTK17AMEN1KMT2A
SCHEMBL15724548 0.75 STK17B (0.52) AAK1STK17BSTK17AMEN1KMT2A
SCHEMBL16057613 0.74 MEN1 (0.36) STK17BSTK17AMEN1MAPTKMT2A

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 AAK1 3659/4885BRD4 318/4885STK17B 1802/4885

“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.