SCHEMBL25626880

SCHEMBL25626880

CC(C)(C)c1cc2c(F)c(CC(C)(C)c3cc4cc[nH]c4nc3OC3CCOC3)[nH]c2nc1OC1COC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.32
▸ MAPK1 P28482 3/20 0.31
▸ SOS1 Q07889 3/20 0.31
▸ LRRK2 Q5S007 2/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ BRAF P15056 1/20 0.30
▸ TTK P33981 1/20 0.30
▸ PDE4B Q07343 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
SCHEMBL25613081 0.82 LRRK2 (0.41) GRM4MAPK1LRRK2BRD4TTK
SCHEMBL25613060 0.78 TTK (0.38) MAPK1LRRK2TTK
SCHEMBL25625653 0.72 LRRK2 (0.37) GRM4MAPK1SOS1LRRK2BRAF
SCHEMBL25613062 0.71 JAK3 (0.39) MAPK1BRD4TTK
SCHEMBL25613080 0.69 LRRK2 (0.40) GRM4MAPK1SOS1LRRK2
SCHEMBL25613075 0.69 JAK3 (0.43) LRRK2TTK
SCHEMBL25613086 0.69 JAK3 (0.46) LRRK2TTK
SCHEMBL25613082 0.68 JAK3 (0.48) LRRK2TTK
SCHEMBL25613085 0.67 ROCK1 (0.41) MAPK1SOS1
SCHEMBL25613079 0.67 FEN1 (0.34) —

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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 — — 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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS BCL2, BCL2L2, BCL2L1 GRM4 4756/4885MAPK1 2612/4885SOS1 2472/4885

“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.

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