SCHEMBL21274141

SCHEMBL21274141

CNC1CC(n2cc(C#N)c3ccc(N4CCN(c5cccc(C(=O)N(C)C)n5)CC4)nc32)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.39
▸ HSD11B1 P28845 10/20 0.35
▸ PTGER1 P34995 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ USP30 Q70CQ3 4/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ IMPDH2 P12268 1/20 0.31

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
SCHEMBL21274143 1.00 OGA (0.39) OGAHSD11B1PTGER1MAP4K4USP30
SCHEMBL21274295 0.86 CDK8 (0.42) HSD11B1
SCHEMBL21274297 0.86 CDK8 (0.42) HSD11B1
SCHEMBL21273993 0.85 PARP1 (0.41) USP30
SCHEMBL21273995 0.85 PARP1 (0.41) USP30
SCHEMBL21273933 0.83 PARP1 (0.35) —
SCHEMBL22801965 0.83 PARP1 (0.35) —
SCHEMBL21274102 0.83 PARP1 (0.35) —
SCHEMBL21274393 0.81 PRKAA2 (0.35) PTGER1
SCHEMBL21274387 0.81 PRKAA2 (0.35) PTGER1

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 OGA 1644/4885HSD11B1 1156/4885PTGER1 1115/4885

“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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