SCHEMBL22208372

SCHEMBL22208372

O=C(NC1CCOCC1)c1csc2ncc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ PDE4B Q07343 2/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ KDM1A O60341 4/20 0.38
▸ MAOA P21397 2/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ HPGDS O60760 1/20 0.38

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
Methane SCHEMBL22208422 0.99 OPRK1 (0.41) OPRK1CNR2CNR1PIK3C3PDE4B
SCHEMBL22208369 0.88 CNR2 (0.52) OPRK1CNR2CNR1
SCHEMBL22208358 0.84 CNR1 (0.41) CNR2CNR1KDM1AMAOA
SCHEMBL22208303 0.79 RIPK1 (0.57) OPRK1CNR2CNR1PDE4BHDAC3
SCHEMBL22208416 0.78 PIK3CG (0.50) OPRK1CNR2CNR1PIK3C3PDE4B
SCHEMBL22208315 0.77 HPGDS (0.44) OPRK1CNR2CNR1PIK3C3PDE4B
SCHEMBL30508263 0.77 PIK3C3 (0.56) OPRK1CNR2CNR1PIK3C3CSNK2A2
SCHEMBL29041999 0.77 PIK3C3 (0.56) OPRK1CNR2CNR1PIK3C3CSNK2A2
SCHEMBL22208455 0.73 DYRK1A (0.51) OPRK1CNR2PDE4BHDAC3HDAC1
SCHEMBL22208307 0.72 TSHR (0.42) OPRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421226-B2 Heteroaryl compounds as necrosis inhibitors, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2025-09-23 — — US disclosed
US-20220112188-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE (HK) LIMITED (HK) 2022-04-14 — — US disclosed
EP-3908277-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME Zhang, Xiaohu (CN) 2021-11-17 — — EP disclosed
WO-2020146858-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2020-07-16 — — WO disclosed
WO-2020146858-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2020-07-16 — — 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 (2 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-12421226-B2 Heteroaryl compounds as necrosis inhibitors, composition and method using the same TNF, LITAF, PNLIP OPRK1 2166/4885CNR2 2152/4885CNR1 2692/4885
US-20220112188-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME TNF, LITAF, PNLIP OPRK1 2166/4885CNR2 2152/4885CNR1 2692/4885

“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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