SCHEMBL22208303

SCHEMBL22208303

O=C(NC1CCOCC1)c1nsc2ncc(Br)cc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.57
▸ DYRK1A Q13627 2/20 0.41
▸ OPRK1 P41145 2/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ KCNH2 Q12809 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
▸ HPGDS O60760 1/20 0.38
▸ CNR2 P34972 3/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.37
▸ TRPV1 Q8NER1 3/20 0.37
▸ PDE4B Q07343 1/20 0.35
▸ KDM1A O60341 2/20 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
SCHEMBL22208414 0.88 CNR2 (0.47) RIPK1DYRK1AOPRK1CNR2CNR1
SCHEMBL22208379 0.84 DYRK1A (0.44) RIPK1DYRK1A
SCHEMBL22208451 0.84 DYRK1A (0.43) RIPK1DYRK1AGSK3BCNR1KDM1A
SCHEMBL22208372 0.79 OPRK1 (0.41) RIPK1OPRK1HDAC3HDAC1HDAC2
SCHEMBL22224034 0.79 RIPK1 (0.51) RIPK1DYRK1AGSK3BKCNH2HPGDS
SCHEMBL22208359 0.78 FNTA (0.42) RIPK1OPRK1KCNH2HDAC6CNR2
Methane SCHEMBL22208422 0.78 OPRK1 (0.41) RIPK1OPRK1HDAC3HDAC1HDAC2
SCHEMBL22208455 0.78 DYRK1A (0.51) DYRK1AOPRK1GSK3BKCNH2HDAC3
SCHEMBL22208416 0.73 PIK3CG (0.50) DYRK1AOPRK1HDAC3HDAC1HDAC2
SCHEMBL22208319 0.72 KDM4E (0.37) DYRK1A

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 RIPK1 224/4885DYRK1A 4546/4885OPRK1 2166/4885
US-20220112188-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME TNF, LITAF, PNLIP RIPK1 224/4885DYRK1A 4546/4885OPRK1 2166/4885

“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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