SCHEMBL19807983

SCHEMBL19807983

CC(=O)Nc1nc2ccc(C(C)=O)cc2s1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 0.79
SMN1; SMN2 Q16637 3/20 0.79
PIK3CG P48736 2/20 0.77
PIK3CA P42336 1/20 0.77
PIK3CB P42338 1/20 0.77
PI4KB Q9UBF8 1/20 0.77
RAB9A P51151 4/20 0.70
NPC1 O15118 3/20 0.70
STAT1 P42224 1/20 0.70
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2C19 P33261 2/20 0.69
CYP2C9 P11712 1/20 0.69
FSCN1 Q16658 1/20 0.69
PDPK1 O15530 1/20 0.69
LCK P06239 1/20 0.67
HTT P42858 1/20 0.66
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
HPGD P15428 1/20 0.64

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
SCHEMBL30561486 1.00 DYRK1A (0.79) DYRK1ASMN1; SMN2PIK3CGPIK3CAPIK3CB
SCHEMBL6058154 0.90 DYRK1A (0.77) DYRK1ASMN1; SMN2PIK3CGPIK3CAPIK3CB
SCHEMBL18472973 0.88 SMN1; SMN2 (1.00) DYRK1ASMN1; SMN2PIK3CGPIK3CAPIK3CB
SCHEMBL798579 0.85 PIK3CG (0.77) DYRK1ASMN1; SMN2PIK3CGPIK3CARAB9A
SCHEMBL7733047 0.85 DYRK1A (0.70) DYRK1ASMN1; SMN2PIK3CGPIK3CAPIK3CB
SCHEMBL6068142 0.84 GSK3B (0.67) DYRK1ASMN1; SMN2PIK3CGPIK3CAPIK3CB
SCHEMBL10170616 0.83 DYRK1A (1.00) DYRK1ASMN1; SMN2PIK3CGPIK3CAPIK3CB
SCHEMBL2175580 0.83 DYRK1A (1.00) DYRK1ASMN1; SMN2PIK3CGPIK3CAPIK3CB
SCHEMBL16896959 0.83 RAB9A (0.66) DYRK1ASMN1; SMN2PIK3CGPIK3CAPIK3CB
SCHEMBL6057541 0.83 NPC1 (1.00) DYRK1ASMN1; SMN2PIK3CGPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3487498-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF ZHANG XIAOHU (CN) 2023-09-06 EP disclosed
US-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof ACCRO BIOSCIENCE INC. (KY) 2020-10-27 US disclosed
US-20190284180-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (HK) 2019-09-19 US disclosed
WO-2018017435-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE INC. (KY) 2018-01-25 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-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof LITAF, BAX, TNF DYRK1A 4614/4885SMN1; SMN2 426/4885PIK3CG 1116/4885
US-20190284180-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF LITAF, BAX, TNF DYRK1A 4614/4885SMN1; SMN2 426/4885PIK3CG 1116/4885

“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.