SCHEMBL26516667

SCHEMBL26516667

CC(C)N1C2CCC1CN(c1ccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5)n(C)c4c3)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.39
▸ GPR119 Q8TDV5 10/20 0.37
▸ RAD52 P43351 1/20 0.35
▸ LRRK2 Q5S007 3/20 0.35
▸ PRKDC P78527 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ ATRIP Q8WXE1 1/20 0.33

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
SCHEMBL26516685 0.90 MAP4K1 (0.39) MAP4K1GPR119RAD52LRRK2PTGS2
SCHEMBL26516688 0.90 MAP4K1 (0.39) MAP4K1GPR119RAD52LRRK2PTGS2
SCHEMBL26516738 0.89 PRKDC (0.37) MAP4K1GPR119PRKDCPTGS2
SCHEMBL30360618 0.89 PRKDC (0.37) MAP4K1GPR119PRKDCPTGS2
SCHEMBL30360601 0.85 MAP4K1 (0.47) MAP4K1GPR119RAD52LRRK2PIK3CA
SCHEMBL26516557 0.85 MAP4K1 (0.47) MAP4K1GPR119RAD52LRRK2PIK3CA
SCHEMBL29006623 0.82 MAP4K1 (0.41) MAP4K1GPR119RAD52LRRK2
SCHEMBL30360600 0.82 HRH3 (0.45) MAP4K1GPR119RAD52LRRK2PRKDC
SCHEMBL26516674 0.82 MAP4K1 (0.41) MAP4K1GPR119RAD52LRRK2
SCHEMBL26516668 0.82 HRH3 (0.45) MAP4K1GPR119RAD52LRRK2PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — US claimed
EP-4200015-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2023-06-28 — — EP claimed
CN-115956077-A Substituted heteroaryl compounds as TLR9 inhibitors 百时美施贵宝公司 2023-04-11 — — CN claimed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — US disclosed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — 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-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 MAP4K1 2619/4885GPR119 163/4885RAD52 2191/4885

“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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