SCHEMBL618586

SCHEMBL618586

Cc1nc2ccc(Br)cn2n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 11/20 0.60
PIK3CG P48736 1/20 0.40
GAA P10253 1/20 0.39
APP P05067 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
DYRK1A Q13627 1/20 0.38
TSHR P16473 1/20 0.35
MAPK10 P53779 1/20 0.35
TGFBR1 P36897 1/20 0.34

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
SCHEMBL7921087 0.79 AHR (0.46) AHRGAAAPPNPC1RAB9A
SCHEMBL12825740 0.79 AHR (0.61) AHRPIK3CGGAAAPPNPC1
SCHEMBL22438963 0.76 DYRK1A (0.38) AHRPIK3CGAPPNPC1RAB9A
SCHEMBL5930721 0.76 DYRK1A (0.38) AHRPIK3CGAPPDYRK1ATGFBR1
SCHEMBL10271997 0.76 AHR (0.51) AHRGAAAPPNPC1RAB9A
SCHEMBL12779142 0.76 DYRK1A (0.38) AHRPIK3CGDYRK1ATGFBR1
SCHEMBL43051 0.76 AHR (0.58) AHRPIK3CGAPPTSHRMAPK10
SCHEMBL27038621 0.76 AHR (0.60) AHRPIK3CGGAAAPPNPC1
SCHEMBL21929912 0.76 AHR (0.53) AHRPIK3CGGAAAPPNPC1
SCHEMBL16439342 0.76 AHR (0.53) AHRPIK3CGGAAAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070902-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-03-12 US disclosed
US-12522595-B2 Bicyclic ether O-glycoprotein-2-acetamido-2-deoxy-3-D-glucopyranosidase inhibitors BIOGEN MA INC. (US) 2026-01-13 US disclosed
EP-4661964-A1 COMPOUNDS AS CCR6 INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-12-17 EP disclosed
US-20250353859-A1 COMPOUNDS AS CCR6 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2025-11-20 US disclosed
EP-4630402-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-10-15 EP disclosed
WO-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-11-12 US disclosed
WO-2024165453-A1 COMPOUNDS AS CCR6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-08-15 WO disclosed
WO-2024121013-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
EP-2393813-B1 Cyclic inhibitors of 11 ß-hydroxysteroid dehydrogenase 1 useful for the treatment of diseases related to elevated level of cortisol VITAE PHARMACEUTICALS INC (US) 2013-07-31 EP disclosed
US-20120040973-A1 DERIVATIVES OF [1,3]OXAZIN-2-ONE USEFUL FOR THE TREATMENT OF METABOLIC DISEASES SUCH AS LIPID DISORDERS VITAE PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040973-A1 DERIVATIVES OF [1,3]OXAZIN-2-ONE USEFUL FOR THE TREATMENT OF METABOLIC DISEASES SUCH AS LIPID DISORDERS VITAE PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040973-A1 DERIVATIVES OF [1,3]OXAZIN-2-ONE USEFUL FOR THE TREATMENT OF METABOLIC DISEASES SUCH AS LIPID DISORDERS VITAE PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
EP-2393813-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-12-14 EP disclosed
US-20110098471-A1 OXAZOLIDINONE DERIVATIVE HAVING FUSED RING RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-04-28 US disclosed
US-20110098471-A1 OXAZOLIDINONE DERIVATIVE HAVING FUSED RING RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-04-28 US disclosed
US-20110098471-A1 OXAZOLIDINONE DERIVATIVE HAVING FUSED RING RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-04-28 US disclosed
WO-2010091067-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
WO-2010091067-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2010-08-12 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 (6 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-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 AHR 164/4885PIK3CG 2566/4885GAA 2023/4885
US-20110098471-A1 OXAZOLIDINONE DERIVATIVE HAVING FUSED RING OXER1, ALOX12, CYP1A1 AHR 20/4885PIK3CG 4537/4885GAA 4530/4885
US-20260070902-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS CCR6, CCR1, CCR4 AHR 271/4885PIK3CG 3979/4885GAA 3694/4885
US-20120040973-A1 DERIVATIVES OF [1,3]OXAZIN-2-ONE USEFUL FOR THE TREATMENT OF METABOLIC DISEASES SUCH AS LIPID DISORDERS HSD11B1, HSD11B2, HSD17B1 AHR 3002/4885PIK3CG 1914/4885GAA 726/4885
US-20250353859-A1 COMPOUNDS AS CCR6 INHIBITORS CCR6, CCR4, CCR1 AHR 576/4885PIK3CG 3285/4885GAA 3474/4885
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 AHR 148/4885PIK3CG 2427/4885GAA 2150/4885

“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.