SCHEMBL21273930

SCHEMBL21273930

CN[C@H]1C[C@H](n2cc(C#N)c3ccc(N4CCN(C5CCN(S(C)(=O)=O)CC5)CC4)nc32)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ JAK2 O60674 5/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ LRRK2 Q5S007 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OGFRL1 Q5TC84 1/20 0.33
▸ RET P07949 3/20 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
SCHEMBL21273929 1.00 IRAK4 (0.38) IRAK4JAK2HRH3KDM1ALRRK2
SCHEMBL22822731 0.89 HRH3 (0.38) IRAK4JAK2HRH3KDM1ADRD2
SCHEMBL22822814 0.89 HRH3 (0.38) IRAK4JAK2HRH3KDM1ADRD2
SCHEMBL21274046 0.89 HRH3 (0.38) IRAK4JAK2HRH3KDM1ADRD2
SCHEMBL22822730 0.89 HRH3 (0.38) IRAK4JAK2HRH3KDM1ADRD2
SCHEMBL21274045 0.89 HRH3 (0.38) IRAK4JAK2HRH3KDM1ADRD2
SCHEMBL21273935 0.86 AOC3 (0.39) IRAK4HRH3KDM1ATBK1OPRM1
SCHEMBL21273936 0.86 AOC3 (0.39) IRAK4HRH3KDM1ATBK1OPRM1
SCHEMBL21274333 0.82 GPR119 (0.44) LRRK2HSD11B1
SCHEMBL21274332 0.82 GPR119 (0.44) LRRK2HSD11B1

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 IRAK4 411/4885JAK2 2741/4885HRH3 1040/4885

“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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