Sugi Predict

Sugi Predict / Compounds / SCHEMBL1328336

SCHEMBL1328336

SCHEMBL1328336

c1ccc(-c2n[nH]c3ccccc23)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 1.00
▸ PIM1 P11309 5/20 0.66
▸ KDM4E B2RXH2 4/20 0.58
▸ IDO1 P14902 3/20 0.58
▸ GAA P10253 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ ALPL P05186 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ TTK P33981 1/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ NTRK1 P04629 1/20 0.56
▸ PIM2 Q9P1W9 2/20 0.55
▸ PIM3 Q86V86 1/20 0.50
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ FLT1 P17948 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ ITK Q08881 1/20 0.47

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
SCHEMBL30316298 1.00 LRRK2 (1.00) LRRK2PIM1KDM4EIDO1GAA
SCHEMBL11786969 0.86 LRRK2 (0.76) LRRK2PIM1KDM4EIDO1GAA
SCHEMBL15555361 0.83 LRRK2 (0.71) LRRK2PIM1IDO1NTRK1PIM2
SCHEMBL1287897 0.81 LRRK2 (0.68) LRRK2PIM1KDM4EIDO1GAA
SCHEMBL30116867 0.81 LRRK2 (0.68) LRRK2PIM1KDM4EIDO1GAA
SCHEMBL20267512 0.81 LRRK2 (0.68) LRRK2PIM1KDM4EIDO1GAA
SCHEMBL30130217 0.81 LRRK2 (0.68) LRRK2PIM1KDM4EIDO1GAA
SCHEMBL28376527 0.81 LRRK2 (0.68) LRRK2PIM1KDM4EIDO1GAA
SCHEMBL4224562 0.80 LRRK2 (0.67) LRRK2PIM1KDM4EIDO1NTRK1
SCHEMBL906850 0.80 LRRK2 (0.66) LRRK2PIM1KDM4EIDO1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119968373-A Aromatic heterocyclic compound and preparation method thereof 上海翊石医药科技有限公司 2025-05-09 — — CN disclosed
WO-2025051214-A1 AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR 上海翊石医药科技有限公司 2025-03-13 — — WO disclosed
CN-117247387-A Aromatic heterocyclic compound and preparation method thereof 上海翊石医药科技有限公司 2023-12-19 — — CN disclosed
CN-115947690-A Preparation method of indazole molecular building block and application of building block in drug synthesis 安徽医科大学 2023-04-11 — — CN disclosed
WO-2022166889-A1 COMPOUND, GUEST MATERIAL OF LIGHT-EMITTING LAYER, ORGANIC ELECTROLUMINESCENT DEVICE, AND DISPLAY DEVICE 北京师范大学 2022-08-11 — — WO disclosed
EP-3436457-A1 BICYCLIC COMPOUNDS BASF SE (DE) 2019-02-06 — — EP disclosed
EP-2964221-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-12-06 — — EP disclosed
WO-2017167832-A1 BICYCLIC COMPOUNDS BASF SE (DE) 2017-10-05 — — WO disclosed
EP-2934144-B1 INDAZOLE COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-07-19 — — EP disclosed
US-9522141-B2 Indazole compounds as aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-12-20 — — US disclosed
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2011-09-01 — — US disclosed
US-7951832-B2 Pyrazole derivatives as kinase inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-31 — — US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 — — US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 — — US disclosed
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 — — US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 — — US disclosed
US-7002013-B1 Pt complexes as phosphorescent emitters in the fabrication of organic light emitting diodes NATIONAL TSING HUA UNIVERSITY (TW) 2006-02-21 — — US disclosed
EP-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 — — EP disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 — — US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 — — 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-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 LRRK2 1127/4885PIM1 3747/4885KDM4E 2088/4885
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BRAF, MAP3K1, MAP3K3 LRRK2 391/4885PIM1 284/4885KDM4E 784/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 LRRK2 391/4885PIM1 284/4885KDM4E 784/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 LRRK2 1288/4885PIM1 4023/4885KDM4E 2711/4885

“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.