SCHEMBL25539476

SCHEMBL25539476

CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1CN2c1nc(Cl)nc2cc(Br)c(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
HDAC1 Q13547 2/20 0.40
GPR119 Q8TDV5 3/20 0.38
HSD11B1 P28845 1/20 0.36
MAPK8 P45983 1/20 0.35
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 1/20 0.34
RET P07949 2/20 0.34
USP30 Q70CQ3 3/20 0.33
GRM2 Q14416 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
DPP4 P27487 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL25538247 0.82 PARP1 (0.45) PARP1HDAC1GPR119HSD11B1MAPK8
SCHEMBL30760013 0.81 PARP1 (0.43) PARP1HDAC1GPR119HSD11B1MAPK8
SCHEMBL27003346 0.81 PARP1 (0.43) PARP1HDAC1GPR119HSD11B1MAPK8
SCHEMBL4094782 0.81 PARP1 (0.54) PARP1HDAC1GPR119HSD11B1MAPK8
SCHEMBL4100723 0.81 PARP1 (0.54) PARP1HDAC1GPR119HSD11B1MAPK8
SCHEMBL25539655 0.81 GPR119 (0.41) GPR119USP30
SCHEMBL25678424 0.80 PARP1 (0.42) PARP1HDAC1GPR119HSD11B1MAPK8
SCHEMBL29860096 0.80 PARP1 (0.42) PARP1HDAC1GPR119HSD11B1MAPK8
SCHEMBL30249947 0.80 JAK1 (0.47) HDAC1GPR119HSD11B1
SCHEMBL25537184 0.80 JAK1 (0.47) HDAC1GPR119HSD11B1

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 PARP1 164/4885HDAC1 1766/4885GPR119 1372/4885

“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.