SCHEMBL21274063

SCHEMBL21274063

CNC1CC(n2cc(C#N)c3ccc(N4CCN(c5cccc(S(C)(=O)=O)c5)CC4)nc32)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.40
▸ DRD2 P14416 2/20 0.39
▸ NR1H2 P55055 11/20 0.37
▸ NR1H3 Q13133 11/20 0.37
▸ MLYCD O95822 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL21274066 1.00 PIK3CD (0.40) PIK3CDDRD2NR1H2NR1H3MLYCD
SCHEMBL21274333 0.89 GPR119 (0.44) LRRK2GPR119
SCHEMBL21274332 0.89 GPR119 (0.44) LRRK2GPR119
SCHEMBL22822806 0.89 NR1H2 (0.42) DRD2NR1H2NR1H3MLYCDJAK2
SCHEMBL21274006 0.85 LRRK2 (0.36) LRRK2GPR119
SCHEMBL21274008 0.85 LRRK2 (0.36) LRRK2GPR119
SCHEMBL21274177 0.85 GPR119 (0.41) LRRK2GPR119
SCHEMBL21274175 0.85 GPR119 (0.41) LRRK2GPR119
SCHEMBL21274365 0.82 DRD2 (0.43) DRD2NR1H2NR1H3MLYCDJAK2
SCHEMBL21274364 0.82 DRD2 (0.43) DRD2NR1H2NR1H3MLYCDJAK2

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
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN 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
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN 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 PIK3CD 237/4885DRD2 4651/4885NR1H2 245/4885

“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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