SCHEMBL21274006

SCHEMBL21274006

CNC1CC(n2cc(C#N)c3ccc(N4CCN(c5ccc(S(C)(=O)=O)cc5C)CC4)nc32)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.36
▸ LMNA P02545 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ KDM1A O60341 6/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ SLC6A9 P48067 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ AOC3 Q16853 1/20 0.30

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
SCHEMBL21274008 1.00 LRRK2 (0.36) LRRK2LMNAGPR119KDM1AHSD11B1
SCHEMBL21274332 0.87 GPR119 (0.44) LRRK2GPR119HSD11B1AOC3
SCHEMBL21274333 0.87 GPR119 (0.44) LRRK2GPR119HSD11B1AOC3
SCHEMBL21274177 0.86 GPR119 (0.41) LRRK2GPR119KDM1AHTT
SCHEMBL21274175 0.86 GPR119 (0.41) LRRK2GPR119KDM1AHTT
SCHEMBL21274063 0.85 PIK3CD (0.40) LRRK2GPR119
SCHEMBL21274066 0.85 PIK3CD (0.40) LRRK2GPR119
SCHEMBL21274090 0.85 JAK2 (0.34) LMNAKDM1ASLC6A9MAPT
SCHEMBL22822490 0.85 JAK2 (0.34) LMNAKDM1ASLC6A9MAPT
SCHEMBL21273929 0.78 IRAK4 (0.38) LRRK2KDM1AHSD11B1MAPT

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
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
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 LRRK2 75/4885LMNA 445/4885GPR119 388/4885

“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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