SCHEMBL26516664

SCHEMBL26516664

CCN1CCN(Cc2ccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5)n(C)c4c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.41
▸ JAK3 P52333 3/20 0.41
▸ PTK2 Q05397 3/20 0.41
▸ KDR P35968 1/20 0.40
▸ TNIK Q9UKE5 3/20 0.40
▸ TNF P01375 2/20 0.40
▸ CCR2 P41597 3/20 0.39
▸ GHSR Q92847 1/20 0.39
▸ HTR6 P50406 2/20 0.39
▸ HSP90AA1 P07900 2/20 0.38
▸ HSP90AB1 P08238 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ STAT3 P40763 1/20 0.37

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
SCHEMBL30360602 1.00 JAK2 (0.41) JAK2JAK3PTK2KDRTNIK
SCHEMBL30360613 0.90 PIK3CA (0.41) JAK2JAK3PTK2KDRTNIK
SCHEMBL26516659 0.90 PIK3CA (0.41) JAK2JAK3PTK2KDRTNIK
SCHEMBL26516654 0.88 CCR2 (0.41) JAK2JAK3PTK2KDRTNIK
SCHEMBL26119124 0.87 CCR2 (0.47) JAK2JAK3PTK2CCR2
SCHEMBL26119662 0.87 OPRM1 (0.41) JAK2JAK3PTK2KDRTNIK
SCHEMBL26516660 0.86 GPR119 (0.44) JAK2JAK3PTK2KDR
Ammonia Solution, Strong SCHEMBL29006622 0.80 LRRK2 (0.35) CCR2GHSRPTGS2
SCHEMBL29006626 0.78 MAP4K1 (0.47) JAK2JAK3PTK2PTGS2
SCHEMBL26123679 0.77 MAP4K4 (0.39) TNIKPTGS2

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 2 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

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 JAK2 28/4885JAK3 456/4885PTK2 546/4885

“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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