Sugi Predict

Sugi Predict / Compounds / SCHEMBL558436

SCHEMBL558436

SCHEMBL558436

Nc1cc2cc(Br)ccc2cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.57
▸ BACE1 P56817 2/20 0.52
▸ GSK3A P49840 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ TAOK1 Q7L7X3 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP2A6 P11509 1/20 0.41
▸ PIK3CB P42338 1/20 0.39
▸ NOS1 P29475 2/20 0.38
▸ METAP2 P50579 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38

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
SCHEMBL30381711 1.00 PDPK1 (0.57) PDPK1BACE1GSK3ACDK9CDK5
Methylene Chloride SCHEMBL27807255 0.93 PDPK1 (0.50) PDPK1BACE1GSK3ACDK9CDK5
SCHEMBL558012 0.92 PDPK1 (0.57) PDPK1BACE1GSK3ACDK9CDK5
SCHEMBL30676520 0.92 PDPK1 (0.57) PDPK1BACE1GSK3ACDK9CDK5
SCHEMBL30381549 0.92 PDPK1 (0.57) PDPK1BACE1GSK3ACDK9CDK5
SCHEMBL19516842 0.80 BACE1 (0.48) PDPK1BACE1GSK3ACDK9CDK5
SCHEMBL30003169 0.80 BACE1 (0.48) PDPK1BACE1GSK3ACDK9CDK5
SCHEMBL14627579 0.78 PDPK1 (0.61) PDPK1KDM4EMEN1ALDH1A1MAPT
SCHEMBL4765233 0.77 PDPK1 (0.64) PDPK1KDM4EMEN1KMT2APIK3CB
SCHEMBL6833006 0.75 GSK3A (0.49) BACE1GSK3ACDK9CDK5TAOK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3826722-B1 ISOQUINOLINE COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2026-02-18 — — EP disclosed
US-20260022108-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF TENARX, INC. 2026-01-22 — — US disclosed
US-12516039-B2 N-linked isoquinoline amides as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2026-01-06 — — US disclosed
US-20250257035-A1 1,4-Substituted Piperidine Derivatives CEPHALON LLC 2025-08-14 — — US disclosed
US-12378249-B2 Isoquinoline compounds and uses thereof GENENTECH, INC. (US) 2025-08-05 — — US disclosed
EP-4559905-A2 ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS BioSplice Therapeutics, Inc. (US) 2025-05-28 — — EP disclosed
US-12281097-B2 Isoquinolin-3-yl carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2025-04-22 — — US disclosed
WO-2025080753-A1 DYRK/CLK PROTACS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2025-04-17 — — WO disclosed
US-20250084039-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 2025-03-13 — — US disclosed
EP-4011882-B1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 2025-03-05 — — EP disclosed
WO-2009011880-A2 HETEROCYCLIC MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 — — WO disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 — — WO disclosed
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 — — EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 — — WO disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 — — WO disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 — — WO disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 — — WO disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 — — US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 — — US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 — — US 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-12378249-B2 Isoquinoline compounds and uses thereof HIPK1, HPGDS, IP6K1 PDPK1 35/4885BACE1 4741/4885GSK3A 1543/4885
US-12281097-B2 Isoquinolin-3-yl carboxamides and preparation and use thereof WNT1, WNT3, WNT3A PDPK1 665/4885BACE1 1926/4885GSK3A 7/4885
US-20250257035-A1 1,4-Substituted Piperidine Derivatives FASN, CES1, CPT1A PDPK1 543/4885BACE1 968/4885GSK3A 3415/4885
US-20250084039-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES MCL1, ABL1, FLT3 PDPK1 2312/4885BACE1 4760/4885GSK3A 2569/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 PDPK1 70/4885BACE1 2314/4885GSK3A 311/4885
US-20260022108-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF WNT1, WNT3, WNT3A PDPK1 2496/4885BACE1 2628/4885GSK3A 11/4885

“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.