SCHEMBL21274364

SCHEMBL21274364

CN[C@H]1C[C@H](n2ccc3ccc(N4CCN(c5cccc(S(C)(=O)=O)c5)CC4)nc32)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.43
▸ AURKA O14965 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ NR1H2 P55055 14/20 0.40
▸ NR1H3 Q13133 14/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ PTK2 Q05397 2/20 0.40
▸ MLYCD O95822 1/20 0.39

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
SCHEMBL21274365 1.00 DRD2 (0.43) DRD2AURKACDK4NR1H2NR1H3
SCHEMBL21274200 0.88 GPR119 (0.42) AURKACDK4JAK2JAK3PTK2
SCHEMBL22801948 0.88 GPR119 (0.42) AURKACDK4JAK2JAK3PTK2
SCHEMBL21274501 0.88 GPR119 (0.42) AURKACDK4JAK2JAK3PTK2
SCHEMBL22822806 0.84 NR1H2 (0.42) DRD2AURKACDK4NR1H2NR1H3
SCHEMBL21274063 0.82 PIK3CD (0.40) DRD2AURKACDK4NR1H2NR1H3
SCHEMBL21274066 0.82 PIK3CD (0.40) DRD2AURKACDK4NR1H2NR1H3
SCHEMBL21274078 0.79 GPR119 (0.43) AURKACDK4JAK2JAK3PTK2
SCHEMBL21274074 0.79 GPR119 (0.43) AURKACDK4JAK2JAK3PTK2
SCHEMBL21274376 0.79 GPR119 (0.43) AURKACDK4JAK2JAK3PTK2

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 9 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
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
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
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 DRD2 4651/4885AURKA 4236/4885CDK4 3939/4885

“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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