SCHEMBL2551440

SCHEMBL2551440

Nc1cc2cc(Br)cc(Cl)c2cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.38
PLAU P00749 1/20 0.35
EGFR P00533 7/20 0.35
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
PIK3CB P42338 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HTT P42858 2/20 0.32
BACE1 P56817 1/20 0.32
KMT2A Q03164 1/20 0.31
MAP4K1 Q92918 1/20 0.31
MPO P05164 1/20 0.30
TPO P07202 1/20 0.30
EPX P11678 1/20 0.30
LPO P22079 1/20 0.30
NT5E P21589 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL30244749 1.00 PDPK1 (0.38) PDPK1PLAUEGFRFGFR1SRC
SCHEMBL23301000 0.85 PDPK1 (0.38) PDPK1PLAUEGFRFGFR1SRC
SCHEMBL558717 0.81 SCN2A (0.41) PDPK1PLAUEGFRFGFR1SRC
SCHEMBL21827959 0.78 PDPK1 (0.38) PDPK1EGFRFGFR1SRCPIK3CB
SCHEMBL558700 0.78 NOS3 (0.45) PDPK1EGFRPIK3CBNOS3NOS1
SCHEMBL20516618 0.74 TTR (0.36) PDPK1FGFR1SRCPIK3CB
SCHEMBL26955910 0.73 PABPC1 (0.37) PLAUFGFR1SRCHTTNT5E
SCHEMBL1396984 0.72 PDPK1 (0.53) PDPK1EGFRFGFR1SRCPIK3CB
SCHEMBL20516792 0.70 PDPK1 (0.35) PDPK1EGFRPIK3CB
SCHEMBL21859705 0.70 NOS3 (0.41) PDPK1EGFRPIK3CBNOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024411-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2026-05-19 CN disclosed
EP-3826722-B1 ISOQUINOLINE COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2026-02-18 EP disclosed
US-12378249-B2 Isoquinoline compounds and uses thereof GENENTECH, INC. (US) 2025-08-05 US disclosed
WO-2025046148-A1 NOVEL PARG INHIBITORS FORX THERAPEUTICS AG (CH) 2025-03-06 WO disclosed
US-20240398784-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-12-05 US disclosed
CN-117024411-A Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-11-10 CN disclosed
CN-110709392-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
WO-2023055679-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-04-06 WO disclosed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
WO-2021004547-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF HPK1 GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2021-01-14 WO disclosed
EP-3601259-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
WO-2020023560-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF F. HOFFMANN-LA ROCHE AG 2020-01-30 WO disclosed
CN-110709392-A Isoquinoline as HPK1 inhibitors 豪夫迈·罗氏有限公司 2020-01-17 CN disclosed
US-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 US disclosed
WO-2018183964-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 WO disclosed
EP-2552893-B1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-10-29 EP disclosed
US-20130096119-A1 Isoquinolin-3-Ylurea Derivatives BUR DANIEL (CH) 2013-04-18 US disclosed
EP-2552893-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2013-02-06 EP disclosed
WO-2011121555-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-06 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 (5 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 35/4885PLAU 3428/4885EGFR 4772/4885
US-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HPGDS, IP6K1 PDPK1 58/4885PLAU 2882/4885EGFR 4780/4885
US-20130096119-A1 Isoquinolin-3-Ylurea Derivatives CLIC1, IRF3, KCNH3 PDPK1 4023/4885PLAU 4262/4885EGFR 2150/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 PDPK1 42/4885PLAU 3126/4885EGFR 4767/4885
US-20240398784-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, BRSK2 PDPK1 14/4885PLAU 4639/4885EGFR 2866/4885

“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.