SCHEMBL25363409

SCHEMBL25363409

COc1ccc(-c2nc3c(C)nc(-c4ccc(N5C[C@@H]6CN(C(C)C)C[C@@H]6C5)cc4)cc3n2C)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ TGFBR1 P36897 6/20 0.37
▸ ACVR1 Q04771 6/20 0.37
▸ KCNH2 Q12809 3/20 0.37
▸ MAP4K1 Q92918 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TLR9 Q9NR96 3/20 0.35
▸ TLR8 Q9NR97 3/20 0.35
▸ TLR7 Q9NYK1 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SHMT2 P34897 1/20 0.34
▸ GAK O14976 1/20 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
SCHEMBL30541681 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTTGFBR1ACVR1
SCHEMBL25364050 0.89 MAPT (0.39) ALDH1A1KDM4EMAPTTGFBR1ACVR1
SCHEMBL30541588 0.89 MAPT (0.39) ALDH1A1KDM4EMAPTTGFBR1ACVR1
SCHEMBL30541640 0.88 ACVR1 (0.47) ALDH1A1KDM4EMAPTTGFBR1ACVR1
SCHEMBL25365763 0.88 ACVR1 (0.47) ALDH1A1KDM4EMAPTTGFBR1ACVR1
SCHEMBL25363522 0.87 MAP4K1 (0.39) ALDH1A1KDM4EMAPTMAP4K1TSHR
SCHEMBL30541604 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTKCNH2MAP4K1
SCHEMBL25365264 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTKCNH2MAP4K1
SCHEMBL25365933 0.85 TLR9 (0.36) ALDH1A1KDM4EMAPTTGFBR1ACVR1
SCHEMBL30541672 0.85 TLR9 (0.36) ALDH1A1KDM4EMAPTTGFBR1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163054-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-22 — — US claimed
EP-4479407-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2024-12-25 — — EP claimed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — WO claimed
US-20250163054-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-22 — — US disclosed
EP-4479407-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2024-12-25 — — EP disclosed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 — — 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-20250163054-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 ALDH1A1 2903/4885KDM4E 1247/4885MAPT 4878/4885

“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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