SCHEMBL21388239

SCHEMBL21388239

Cc1ncc(Br)c(NCC2(NC(=O)OC(C)(C)C)CCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
SMO Q99835 1/20 0.36
PPIA P62937 2/20 0.35
IGF1R P08069 1/20 0.35
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
SYK P43405 1/20 0.33
IRAK1 P51617 1/20 0.33
FPR3 P25089 2/20 0.32
FPR2 P25090 2/20 0.32
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
DGAT1 O75907 1/20 0.31
PIK3CD O00329 1/20 0.30

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
SCHEMBL15285637 0.89 STK17B (0.46) P2RX7SMOPPIAIGF1RSTK17B
SCHEMBL18637987 0.84 P2RX7 (0.37) P2RX7SMOPPIAIGF1RSTK17B
SCHEMBL21388314 0.78 P2RX7 (0.34) P2RX7SMO
SCHEMBL25949191 0.77 STK17B (0.50) STK17BSTK17A
SCHEMBL1666761 0.75 P2RX7 (0.45) P2RX7SMOPPIAFPR3FPR2
SCHEMBL12810107 0.75 P2RX7 (0.37) P2RX7SMOPPIAIGF1RSTK17B
SCHEMBL25949558 0.74 THRB (0.36) IGF1RSTK17BSTK17AFPR3FPR2
SCHEMBL2521920 0.73 P2RX7 (0.43) P2RX7SMOPPIASTK17BSTK17A
SCHEMBL18638035 0.73 STK17B (0.42) P2RX7SMOSTK17BSTK17ASYK
SCHEMBL2726118 0.72 STK17B (0.48) P2RX7SMOIGF1RSTK17BSTK17A

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-20230248733-A1 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2023-08-10 US disclosed
EP-2968290-B1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 THERAPEUTICS INC (US) 2019-09-25 EP 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 P2RX7 4661/4885SMO 1398/4885PPIA 1983/4885

“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.