SCHEMBL21274028

SCHEMBL21274028

CNC1CC(n2cc(C#N)c3ccc(N4CCN(c5cccc6nccn56)CC4)nc32)C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL21274030 1.00 F10 (0.31) F10TLR9TLR8TLR7
SCHEMBL22801910 0.83 F10 (0.35) F10
SCHEMBL21274039 0.83 F10 (0.35) F10
SCHEMBL21274508 0.83 F10 (0.35) F10
SCHEMBL21274102 0.81 PARP1 (0.35) TLR9TLR8TLR7
SCHEMBL21273933 0.81 PARP1 (0.35) TLR9TLR8TLR7
SCHEMBL22801965 0.81 PARP1 (0.35) TLR9TLR8TLR7
SCHEMBL21285482 0.78 HRH3 (0.39) —
SCHEMBL21285477 0.78 HRH3 (0.39) —
SCHEMBL22801994 0.76 MAPT (0.34) —

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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US claimed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 — — EP claimed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO claimed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 — — EP disclosed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 F10 4164/4885TLR9 13/4885TLR8 139/4885

“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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