Isoquinolin-3-Amine

Isoquinolin-3-Amine

SCHEMBL177520

Nc1cc2ccccc2cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 1.00
CYP1A2 P05177 1/20 0.54
CYP2A6 P11509 1/20 0.54
PLAU P00749 1/20 0.48
FGFR1 P11362 2/20 0.47
SRC P12931 2/20 0.47
NPC1 O15118 2/20 0.44
PIK3CB P42338 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ABL1 P00519 2/20 0.42
RAB9A P51151 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HBB P68871 1/20 0.41

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
Isoquinolin-3-Amine SCHEMBL30378027 1.00 PDPK1 (1.00) PDPK1CYP1A2CYP2A6PLAUFGFR1
Isoquinolin-3-Amine SCHEMBL29975748 1.00 PDPK1 (1.00) PDPK1CYP1A2CYP2A6PLAUFGFR1
Isoquinolin-3-Amine SCHEMBL28187424 0.98 PDPK1 (0.95) PDPK1CYP1A2CYP2A6PLAUFGFR1
Isoquinolin-3-Amine SCHEMBL29975463 0.82 PDPK1 (0.67) PDPK1CYP1A2CYP2A6PLAUFGFR1
Isoquinolin-3-Amine SCHEMBL28186686 0.82 PDPK1 (0.67) PDPK1CYP1A2CYP2A6PLAUFGFR1
SCHEMBL4765233 0.78 PDPK1 (0.64) PDPK1FGFR1SRCPIK3CBABL1
SCHEMBL26511313 0.78 MAPT (0.69) PDPK1PIK3CB
SCHEMBL14244848 0.78 PDPK1 (0.62) PDPK1FGFR1SRCALDH1A1HSD17B10
SCHEMBL31259166 0.76 PDPK1 (0.61) PDPK1PLAUFGFR1SRCPIK3CB
SCHEMBL14627579 0.76 PDPK1 (0.61) PDPK1PLAUFGFR1SRCPIK3CB

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 717 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 claimed
US-12378249-B2 Isoquinoline compounds and uses thereof GENENTECH, INC. (US) 2025-08-05 US claimed
CN-114539147-B Preparation method of 3-halogenated-5, 6,7, 8-tetrahydroisoquinoline 苏州美诺医药科技有限公司 2024-03-22 CN claimed
CN-117242074-A KRAS G12D inhibitors 百时美施贵宝公司 2023-12-15 CN claimed
CN-114539147-A Preparation method of 3-halogenated-5, 6,7, 8-tetrahydroisoquinoline 苏州美诺医药科技有限公司 2022-05-27 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-104597194-B The high performance liquid chromatography-fluorescence method of 3-chlorine-1,2-propylene glycol 武汉轻工大学 2016-07-06 CN claimed
CN-103261167-B 6 of replacement, 6-condenses nitrogen-containing heterocycle compound and uses thereof HOFFMAN-LA ROCHE LTD. (CH) 2016-05-04 CN claimed
CN-104597194-A High performance liquid chromatography-fluorescence detection method for 3-chloro-1,2-propylene glycol UNIV WUHAN POLYTECHNIC 2015-05-06 CN claimed
EP-1023268-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LTD (GB) 2003-05-21 EP claimed
US-6248738-B1 ANTIULCER AGENTS, ANGIOGENESIS INHIBITORS, ANTIMETASTASIS AGENTS, ANTITUMOR AGENTS PFIZER INC. 2001-06-19 US claimed
CN-1275979-A Isoquinoline compounds useful as urokinase inhibitors PFIZER (US) 2000-12-06 CN claimed
EP-1023268-A1 ISOQUINOLINES AS UROKINASE INHIBITORS Pfizer Limited (GB) 2000-08-02 EP claimed
WO-1999020608-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LIMITED (GB) 1999-04-29 WO claimed
EP-4716531-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS Board of Regents, The University of Texas System (US) 2026-04-01 EP disclosed
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2026-03-05 US disclosed
EP-3826722-B1 ISOQUINOLINE COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2026-02-18 EP disclosed
EP-0047923-B1 ISOQUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1984-05-09 EP disclosed
US-4349677-A 3,4-Dihydro-3,4-isoquinolinedione 4-oxime MORTON-NORWICH PRODUCTS, INC. (US) 1982-09-14 US disclosed
EP-0047923-A1 Isoquinoline derivatives, processes for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-24 EP 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-12378249-B2 Isoquinoline compounds and uses thereof HIPK1, HPGDS, IP6K1 PDPK1 35/4885CYP1A2 2773/4885CYP2A6 3700/4885
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF KRAS, NRAS, HRAS PDPK1 2023/4885CYP1A2 1142/4885CYP2A6 702/4885

“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.