SCHEMBL26516702

SCHEMBL26516702

Cn1c(-c2ccc(S(=O)(=O)C3CC3)cc2)cc2ncc(C3CCNCC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.38
▸ KCNH2 Q12809 3/20 0.36
▸ PLAT P00750 1/20 0.35
▸ NMT1 P30419 3/20 0.34
▸ PRKDC P78527 3/20 0.33
▸ ATR Q13535 3/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ MTOR P42345 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ ATRIP Q8WXE1 2/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ JAK3 P52333 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ CCR6 P51684 2/20 0.32
▸ EED O75530 1/20 0.32
▸ SUZ12 Q15022 1/20 0.32

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
SCHEMBL26516698 0.81 KCNH2 (0.39) KCNH2PRKDCCCR6
SCHEMBL30475508 0.81 KCNH2 (0.39) KCNH2PRKDCCCR6
SCHEMBL30360603 0.78 TLR9 (0.31) CNR2KCNH2NAMPT
SCHEMBL26523822 0.73 PTGS2 (0.43) PRKDCMTORPIK3CAPTK2
SCHEMBL25365002 0.70 PLAT (0.44) PLATNMT1JAK3PTK2FAAH
SCHEMBL26121332 0.69 MAP4K1 (0.48) —
SCHEMBL30360598 0.69 MAP4K1 (0.48) —
SCHEMBL26516690 0.68 GPR119 (0.38) MTORPIK3CAJAK3PTK2
SCHEMBL26072738 0.67 KCNH2 (0.34) CNR2KCNH2
SCHEMBL29396380 0.66 PLAT (0.40) KCNH2PLATNMT1SYKJAK3

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-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
EP-4200015-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 Bristol-Myers Squibb Company (US) 2023-06-28 — — EP disclosed
CN-115956077-A Substituted heteroaryl compounds as TLR9 inhibitors 百时美施贵宝公司 2023-04-11 — — CN 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 CNR2 1485/4885KCNH2 3744/4885PLAT 4395/4885

“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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