SCHEMBL26516660

SCHEMBL26516660

CN(C)C1CCN(Cc2ccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5)n(C)c4c3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.44
▸ KCNH2 Q12809 5/20 0.44
▸ PARP1 P09874 2/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41
▸ ADORA2B P29275 1/20 0.39
▸ TNKS O95271 1/20 0.38
▸ JAK2 O60674 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ MELK Q14680 1/20 0.37
▸ CCR5 P51681 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36

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
SCHEMBL26516664 0.86 JAK2 (0.41) JAK2JAK3PTK2KDR
SCHEMBL30360602 0.86 JAK2 (0.41) JAK2JAK3PTK2KDR
SCHEMBL26516659 0.84 PIK3CA (0.41) PARP1PARP2JAK2JAK3PTK2
SCHEMBL30360613 0.84 PIK3CA (0.41) PARP1PARP2JAK2JAK3PTK2
SCHEMBL26119662 0.83 OPRM1 (0.41) JAK2JAK3PTK2KDR
SCHEMBL24266163 0.83 KCNH2 (0.44) GPR119KCNH2PARP1PARP2ADORA2B
SCHEMBL26516654 0.82 CCR2 (0.41) JAK2JAK3PTK2KDR
SCHEMBL26119124 0.81 CCR2 (0.47) JAK2JAK3PTK2
SCHEMBL24266726 0.78 KCNH2 (0.43) GPR119KCNH2PARP1PARP2ADORA2B
SCHEMBL29399633 0.78 KCNH2 (0.43) GPR119KCNH2PARP1PARP2ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GPR119 163/4885KCNH2 3744/4885PARP1 68/4885

“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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