SCHEMBL21274175

SCHEMBL21274175

CNC1CC(n2cc(C#N)c3ccc(N4CCN(c5ccc(S(C)(=O)=O)cn5)CC4)nc32)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.41
▸ LRRK2 Q5S007 5/20 0.40
▸ HTT P42858 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ OGA O60502 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ TNK2 Q07912 1/20 0.35
▸ TNK1 Q13470 1/20 0.35
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL21274177 1.00 GPR119 (0.41) GPR119LRRK2HTTGAATSHR
SCHEMBL21274332 0.90 GPR119 (0.44) GPR119LRRK2
SCHEMBL21274333 0.90 GPR119 (0.44) GPR119LRRK2
SCHEMBL21274006 0.86 LRRK2 (0.36) GPR119LRRK2HTTKDM1A
SCHEMBL21274008 0.86 LRRK2 (0.36) GPR119LRRK2HTTKDM1A
SCHEMBL21274066 0.85 PIK3CD (0.40) GPR119LRRK2
SCHEMBL21274063 0.85 PIK3CD (0.40) GPR119LRRK2
SCHEMBL21274176 0.84 HRH3 (0.37) PARP1
SCHEMBL21273949 0.84 HRH3 (0.37) PARP1
SCHEMBL22822814 0.81 HRH3 (0.38) KDM1A

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 8 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
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 GPR119 388/4885LRRK2 75/4885HTT 3507/4885

“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.

Send feedback