Isoquinolin-3-Amine

Isoquinolin-3-Amine

SCHEMBL29975748

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 SCHEMBL177520 1.00 PDPK1 (1.00) PDPK1CYP1A2CYP2A6PLAUFGFR1
Isoquinolin-3-Amine SCHEMBL30378027 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305038-B1 KRAS G12D INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2025-01-29 EP claimed
US-20250289801-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2025-09-18 US disclosed
US-20250186456-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND AND PREPARATION METHOD AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2025-06-12 US disclosed
US-12172983-B2 EGFR inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2024-12-24 US disclosed
US-11993595-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2024-05-28 US disclosed
EP-4359401-A1 PROCESS FOR PREPARING EGFR INHIBITORS Blueprint Medicines Corporation (US) 2024-05-01 EP disclosed
EP-4329757-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2024-03-06 EP disclosed
US-20230056541-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2023-02-23 US disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
WO-2022271801-A1 PROCESS FOR PREPARING EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2022-12-29 WO disclosed
WO-2022232331-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-11-03 WO disclosed
US-11472798-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2022-10-18 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 (7 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-20230056541-A1 EGFR INHIBITORS EGFR, ERBB2, ERBB3 PDPK1 542/4885CYP1A2 4734/4885CYP2A6 4506/4885
US-20250186456-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND AND PREPARATION METHOD AND USE THEREOF KRAS, NRAS, TP53 PDPK1 706/4885CYP1A2 3273/4885CYP2A6 1919/4885
US-11472798-B2 Compounds UCHL1, UCHL3, UCHL5 PDPK1 2877/4885CYP1A2 2089/4885CYP2A6 2951/4885
US-12172983-B2 EGFR inhibitors EGFR, ERBB2, ERBB3 PDPK1 542/4885CYP1A2 4734/4885CYP2A6 4506/4885
US-11993595-B2 Compounds UCHL1, UCHL3, UCHL5 PDPK1 2877/4885CYP1A2 2089/4885CYP2A6 2951/4885
US-20250289801-A1 EGFR INHIBITORS EGFR, ERBB2, ERBB3 PDPK1 542/4885CYP1A2 4734/4885CYP2A6 4506/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 PDPK1 2885/4885CYP1A2 2383/4885CYP2A6 3100/4885

“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.