SCHEMBL21273935

SCHEMBL21273935

CNC1CC(n2cc(C#N)c3ccc(N4CCN(C5CCN(C(C)=O)CC5)CC4)nc32)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ RET P07949 3/20 0.34
▸ USP30 Q70CQ3 2/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ KIF5B P33176 2/20 0.33
▸ KDR P35968 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ OGFRL1 Q5TC84 1/20 0.33
▸ NSD2 O96028 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
SCHEMBL21273936 1.00 AOC3 (0.39) AOC3IRAK4TLR9TLR8TLR7
SCHEMBL21273929 0.86 IRAK4 (0.38) IRAK4HRH3KDM1ARETTBK1
SCHEMBL21273930 0.86 IRAK4 (0.38) IRAK4HRH3KDM1ARETTBK1
SCHEMBL22822731 0.84 HRH3 (0.38) IRAK4HRH3KDM1ARETTBK1
SCHEMBL21274045 0.84 HRH3 (0.38) IRAK4HRH3KDM1ARETTBK1
SCHEMBL22822730 0.84 HRH3 (0.38) IRAK4HRH3KDM1ARETTBK1
SCHEMBL21274046 0.84 HRH3 (0.38) IRAK4HRH3KDM1ARETTBK1
SCHEMBL22822814 0.84 HRH3 (0.38) IRAK4HRH3KDM1ARETTBK1
SCHEMBL21268734 0.82 MAPT (0.39) —
SCHEMBL21274393 0.82 PRKAA2 (0.35) —

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 AOC3 3805/4885IRAK4 411/4885TLR9 13/4885

“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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