SCHEMBL22208451

SCHEMBL22208451

O=C(NC1CCC(F)(F)CC1)c1nsc2ncc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 10/20 0.43
▸ WNT1 P04628 1/20 0.43
▸ RIPK1 Q13546 1/20 0.42
▸ GSK3B P49841 8/20 0.42
▸ KDM1A O60341 4/20 0.41
▸ MAOB P27338 2/20 0.41
▸ CNR1 P21554 1/20 0.39
▸ CD38 P28907 2/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36

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 0.86 CNR2 (0.47) DYRK1AWNT1RIPK1CNR1
SCHEMBL22208303 0.84 RIPK1 (0.57) DYRK1ARIPK1GSK3BKDM1ACNR1
SCHEMBL22208379 0.82 DYRK1A (0.44) DYRK1AWNT1RIPK1
SCHEMBL22208358 0.80 CNR1 (0.41) DYRK1AGSK3BKDM1AMAOBCNR1
SCHEMBL22208359 0.77 FNTA (0.42) RIPK1
SCHEMBL22208458 0.74 RIPK1 (0.81) DYRK1ARIPK1
SCHEMBL22208319 0.71 KDM4E (0.37) DYRK1A
SCHEMBL22208399 0.68 HTT (0.38) DYRK1AWNT1
SCHEMBL24626551 0.68 SMYD3 (0.48) CNR1
SCHEMBL29675197 0.68 SMYD3 (0.48) CNR1

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 DYRK1A 4546/4885WNT1 4447/4885RIPK1 224/4885
US-20220112188-A1 HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME TNF, LITAF, PNLIP DYRK1A 4546/4885WNT1 4447/4885RIPK1 224/4885

“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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