SCHEMBL25363473

SCHEMBL25363473

COc1ccc(-c2nc3cnc(-c4ccc(N5C[C@@H]6CN(C(C)C)C[C@@H]6C5)cc4)cc3n2C2CC2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PRKDC P78527 1/20 0.37
▸ TGFBR1 P36897 4/20 0.37
▸ ACVR1 Q04771 4/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CYP11B1 P15538 7/20 0.36
▸ CYP11B2 P19099 7/20 0.36
▸ HPGD P15428 1/20 0.35
▸ MAP4K1 Q92918 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ BMPR1B O00238 1/20 0.34
▸ BMPR1A P36894 1/20 0.34
▸ ACVR1B P36896 1/20 0.34
▸ ACVRL1 P37023 1/20 0.34
▸ TNIK Q9UKE5 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 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
SCHEMBL25365595 0.90 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EPRKDCCYP11B1
SCHEMBL25364307 0.87 PRKDC (0.37) ALDH1A1MAPTKDM4EPRKDCTGFBR1
SCHEMBL25364198 0.86 TGFBR1 (0.37) ALDH1A1MAPTKDM4EPRKDCTGFBR1
SCHEMBL25362526 0.83 GPR119 (0.44) TGFBR1CYP11B1CYP11B2
SCHEMBL25367831 0.82 TLR9 (0.38) ALDH1A1MAPTKDM4EPRKDCCYP11B1
SCHEMBL25366895 0.81 TLR8 (0.39) ALDH1A1MAPTKDM4EPRKDCCYP11B1
SCHEMBL30541681 0.76 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ETGFBR1ACVR1
SCHEMBL25363409 0.76 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ETGFBR1ACVR1
SCHEMBL25365515 0.75 CYP11B2 (0.45) ALDH1A1KDM4ECYP11B1CYP11B2HPGD
SCHEMBL30541622 0.75 CYP11B2 (0.45) ALDH1A1KDM4ECYP11B1CYP11B2HPGD

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 2903/4885MAPT 4878/4885KDM4E 1247/4885

“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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