SCHEMBL22208416

SCHEMBL22208416

O=C(NC1CCOCC1)c1c[nH]c2ncc(Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.50
▸ OPRK1 P41145 2/20 0.42
▸ CNR2 P34972 3/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ PDE4B Q07343 3/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ MAP4K1 Q92918 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ FLT3 P36888 2/20 0.38
▸ BRAF P15056 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ MERTK Q12866 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
SCHEMBL27043050 0.88 PIK3CG (0.40) PIK3CGCNR2CNR1JAK2JAK3
SCHEMBL22208455 0.79 DYRK1A (0.51) OPRK1CNR2PDE4BHDAC3HDAC1
SCHEMBL22208372 0.78 OPRK1 (0.41) OPRK1CNR2CNR1PDE4BHDAC3
SCHEMBL22208315 0.78 HPGDS (0.44) OPRK1CNR2CNR1PDE4BPIK3C3
SCHEMBL30508263 0.78 PIK3C3 (0.56) OPRK1CNR2CNR1PIK3C3HPGDS
SCHEMBL29041999 0.78 PIK3C3 (0.56) OPRK1CNR2CNR1PIK3C3HPGDS
SCHEMBL24479124 0.77 AURKA (0.39) JAK2JAK3FLT3BRAFAXL
SCHEMBL23534299 0.77 L3MBTL1 (0.49) JAK1BTK
Methane SCHEMBL22208422 0.77 OPRK1 (0.41) OPRK1CNR2CNR1PDE4BHDAC3
SCHEMBL4113908 0.77 HPGD (0.49) —

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 PIK3CG 1124/4885OPRK1 2166/4885CNR2 2152/4885
US-20220112188-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME TNF, LITAF, PNLIP PIK3CG 1124/4885OPRK1 2166/4885CNR2 2152/4885

“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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