SCHEMBL558172

SCHEMBL558172

COc1ccc2nc(N)nn2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.48
PIK3CD O00329 5/20 0.43
PIK3CG P48736 5/20 0.43
PIK3CA P42336 4/20 0.43
PIK3CB P42338 2/20 0.42
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A3 P47895 1/20 0.38
JAK2 O60674 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
APP P05067 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
CDK5 Q00535 1/20 0.37

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
SCHEMBL936706 0.87 PIK3CG (0.58) JAK1PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL14970149 0.80 PIK3CG (0.43) PIK3CDPIK3CGPIK3CAKDM4EALDH1A1
SCHEMBL27038821 0.79 PIK3CG (0.43) PIK3CDPIK3CGPIK3CAKDM4EALDH1A1
SCHEMBL16795824 0.79 PIK3CG (0.43) PIK3CDPIK3CGPIK3CAKDM4EALDH1A1
SCHEMBL27037953 0.78 SCN5A (0.42) PIK3CDPIK3CGPIK3CAPIK3CBMAPK1
SCHEMBL41829 0.78 HSP90AA1 (0.49) JAK1PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL12909566 0.78 PIK3CG (0.62) JAK1PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL27038102 0.77 PIK3CG (0.37) JAK1PIK3CDPIK3CGPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL938131 0.77 PIK3CG (0.61) JAK1PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL3711935 0.77 PIK3CG (0.63) PIK3CDPIK3CGPIK3CAPIK3CB

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606556-B2 TYK-2 inhibitor BEONE MEDICINES I GMBH (CH) 2026-04-21 US disclosed
EP-4217346-B1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2025-07-02 EP disclosed
WO-2025137541-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2025-06-26 WO disclosed
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 EP disclosed
CN-115003667-B TYK-2 inhibitors 百济神州有限公司 2025-04-15 CN disclosed
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 WO disclosed
EP-4330236-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2024-03-06 EP disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 WO disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 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 (4 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-12606556-B2 TYK-2 inhibitor TYK2, TXK, JAK1 JAK1 3/4885PIK3CD 1885/4885PIK3CG 1556/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 JAK1 3700/4885PIK3CD 1486/4885PIK3CG 1400/4885
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX JAK1 515/4885PIK3CD 3768/4885PIK3CG 3611/4885
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 JAK1 2/4885PIK3CD 550/4885PIK3CG 547/4885

“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.