SCHEMBL20517501

SCHEMBL20517501

CCOC(=O)c1nn(C2CCCCO2)c(C)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ELANE P08246 2/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
TSHR P16473 2/20 0.36
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.34
CSNK1D P48730 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL22236287 0.88 GAA (0.36) ALDH1A1HPGDNPC1RAB9AGAA
SCHEMBL16100241 0.85 ELANE (0.38) ELANEALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL30133793 0.85 GAA (0.42) MAPTELANEALDH1A1HPGDMAPK1
SCHEMBL16100242 0.85 ELANE (0.38) ELANEALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL31622731 0.85 ELANE (0.38) MAPTELANEALDH1A1HPGDMAPK1
SCHEMBL29761607 0.83 ALDH1A1 (0.38) MAPTALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL30133858 0.81 TSHR (0.40) MAPTELANEALDH1A1HPGDMAPK1
SCHEMBL30134356 0.81 MAPT (0.39) MAPTELANEALDH1A1HPGDSMN1; SMN2
SCHEMBL30899996 0.81 RAB9A (0.37) MAPTELANEALDH1A1HPGDMAPK1
SCHEMBL30133959 0.81 ELANE (0.38) ELANEALDH1A1HPGDMAPK1SMN1; SMN2

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 14 patents. 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
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
CN-115776888-A Macrocyclic ether containing indole derivatives as MCL-1 inhibitors 詹森药业有限公司 2023-03-10 CN 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
CN-114728985-A Macrocyclic indole derivatives as MCL-1 inhibitors 詹森药业有限公司 2022-07-08 CN disclosed
EP-3601259-B1 ISOQUINOLINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2022-02-23 EP disclosed
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2021-06-03 US disclosed
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2021-06-03 US disclosed
EP-3601259-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HPGDS, IP6K1 MAPT 4216/4885ELANE 2053/4885ALDH1A1 4542/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 MAPT 3947/4885ELANE 2194/4885ALDH1A1 4451/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 MAPT 3947/4885ELANE 2194/4885ALDH1A1 4451/4885

“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.