SCHEMBL23612352

SCHEMBL23612352

CCc1cc2cc(N)ccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
CYP2A6 P11509 6/20 0.40
ASIC3 Q9UHC3 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
AGXT P21549 1/20 0.37
ADRB2 P07550 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 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
SCHEMBL22914583 0.82 NOS2 (0.37) BACE1CYP2A6ASIC3LOXL2SMN1; SMN2
SCHEMBL24601455 0.81 CYP2A6 (0.58) BACE1CYP2A6ASIC3LOXL2SMN1; SMN2
SCHEMBL6253354 0.80 CYP2A6 (0.55) BACE1CYP2A6ASIC3LOXL2SMN1; SMN2
SCHEMBL6958993 0.78 CYP2A6 (0.50) CYP2A6ASIC3LOXL2ADRB2RAB9A
SCHEMBL10222545 0.78 CYP2A6 (0.45) BACE1CYP2A6ASIC3LOXL2SMN1; SMN2
SCHEMBL13495923 0.77 BACE1 (0.57) BACE1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13791093 0.77 DYRK1A (0.51) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL2056139 0.77 AKR1B1 (0.39) CYP2A6ASIC3LOXL2SMN1; SMN2ADRB2
SCHEMBL9980132 0.77 MAPK1 (0.39) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL10163618 0.74 GRIN2C (0.40) CYP2A6ASIC3LOXL2AGXTADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612413-B2 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (CN) 2026-04-28 US disclosed
EP-4085059-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE HK LTD (HK) 2024-03-20 EP disclosed
EP-4085059-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE HK LTD (HK) 2024-03-20 EP disclosed
US-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2023-04-20 US disclosed
US-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2023-04-20 US disclosed
EP-4085059-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME Accro Bioscience (HK) Limited (HK) 2022-11-09 EP disclosed
WO-2021138694-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2021-07-08 WO disclosed
WO-2021138694-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2021-07-08 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-12612413-B2 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same CASP6, CASP3, BAX BACE1 190/4885CYP2A6 162/4885ASIC3 1996/4885
US-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same BAX, PDCD1, PDCD4 BACE1 380/4885CYP2A6 1469/4885ASIC3 4433/4885

“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.