SCHEMBL25539655

SCHEMBL25539655

C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc(Cl)nc2cc(Br)c(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
TLR9 Q9NR96 1/20 0.40
MET P08581 1/20 0.39
ABCB1 P08183 1/20 0.38
KRAS P01116 1/20 0.38
USP30 Q70CQ3 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL30826903 0.92 SMARCA2 (0.41) GPR119SMARCA2SMARCA4PBRM1TLR9
SCHEMBL28515675 0.92 SMARCA2 (0.41) GPR119SMARCA2SMARCA4PBRM1TLR9
SCHEMBL28515676 0.92 SMARCA2 (0.41) GPR119SMARCA2SMARCA4PBRM1TLR9
SCHEMBL28997459 0.90 SMARCA2 (0.41) GPR119SMARCA2SMARCA4PBRM1TLR9
SCHEMBL30335662 0.90 SMARCA2 (0.41) GPR119SMARCA2SMARCA4PBRM1TLR9
SCHEMBL28997461 0.90 SMARCA2 (0.41) GPR119SMARCA2SMARCA4PBRM1TLR9
SCHEMBL28503228 0.84 GPR119 (0.41) GPR119SMARCA2SMARCA4PBRM1MET
SCHEMBL28503226 0.84 GPR119 (0.41) GPR119SMARCA2SMARCA4PBRM1MET
SCHEMBL28846833 0.83 GPR119 (0.42) GPR119SMARCA2SMARCA4PBRM1MET
SCHEMBL29026649 0.83 GPR119 (0.42) GPR119SMARCA2SMARCA4PBRM1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409558-A1 IRREVERSIBLE INHIBITORS OF KRAS BIOMEA FUSION, INC. 2024-12-12 US disclosed
WO-2023039240-A9 IRREVERSIBLE INHIBITORS OF KRas BIOMEA FUSION, INC. (US) 2023-06-01 WO disclosed
WO-2023039240-A9 IRREVERSIBLE INHIBITORS OF KRas BIOMEA FUSION, INC. (US) 2023-06-01 WO disclosed
WO-2023039240-A1 IRREVERSIBLE INHIBITORS OF KRas BIOMEA FUSION, INC. (US) 2023-03-16 WO 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-20240409558-A1 IRREVERSIBLE INHIBITORS OF KRAS KRAS, NRAS, TP53 GPR119 1372/4885SMARCA2 1899/4885SMARCA4 1640/4885

“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.