SCHEMBL21273987

SCHEMBL21273987

c1csc(N2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 5/20 0.41
▸ NOS1 P29475 5/20 0.41
▸ NOS2 P35228 2/20 0.41
▸ PARP1 P09874 3/20 0.39
▸ HTR7 P34969 9/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR3E A5X5Y0 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ HTR3D Q70Z44 1/20 0.34
▸ HTR3C Q8WXA8 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ HTR6 P50406 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
SCHEMBL21274069 0.85 PARP1 (0.52) PARP1HTR7HTR3EKDM4EHTR3B
SCHEMBL21274094 0.85 PARP1 (0.50) PARP1HTR7
SCHEMBL21281583 0.84 PARP1 (0.51) NOS3NOS1NOS2PARP1HTR7
SCHEMBL21274287 0.82 KCNH2 (0.45) PARP1HTR7ALDH1A1HTR6
SCHEMBL21273960 0.81 HRH3 (0.53) HTR7HTR3EKDM4EHTR3BALDH1A1
SCHEMBL21274001 0.81 CHKA (0.43) PARP1CYP1A2HRH3
SCHEMBL21268765 0.81 HTR7 (0.42) NOS3NOS1NOS2PARP1HTR7
SCHEMBL21273939 0.80 SLC6A2 (0.47) HTR7
SCHEMBL21268791 0.79 HTR3E (0.43) PARP1HTR7HTR3EKDM4EHTR3B
SCHEMBL21281496 0.79 CASP1 (0.51) HTR7HTR3EKDM4EHTR3BALDH1A1

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 NOS3 1721/4885NOS1 1898/4885NOS2 1862/4885

“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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