SCHEMBL20517030

SCHEMBL20517030

Cc1cc2[nH]ncc2cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
CHEK1 O14757 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
FGFR1 P11362 2/20 0.37
AXL P30530 1/20 0.36
MAPT P10636 5/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NOS1 P29475 6/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
METAP2 P50579 2/20 0.34
DYRK1A Q13627 2/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
CSNK2A1 P68400 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
SCHEMBL15288252 0.95 TRPA1 (0.39) TRPA1TRPM8TRPV1CHEK1L3MBTL1
SCHEMBL25278627 0.85 TRPA1 (0.41) TRPA1TRPM8TRPV1CHEK1FGFR1
SCHEMBL29981187 0.85 TRPA1 (0.41) TRPA1TRPM8TRPV1CHEK1FGFR1
SCHEMBL24344190 0.82 AXL (0.52) TRPA1TRPM8CHEK1AXLKDM4E
SCHEMBL20899454 0.82 NOS1 (0.39) TRPA1TRPM8TRPV1CHEK1L3MBTL1
SCHEMBL23982931 0.82 TRPA1 (0.38) TRPA1TRPM8TRPV1CHEK1FGFR1
SCHEMBL15288219 0.80 AXL (0.49) TRPA1TRPM8CHEK1AXLMAPT
SCHEMBL12432002 0.77 MAPK1 (0.36) MAPK1
SCHEMBL24553447 0.76 PIM1 (0.37) TRPA1TRPM8TRPV1CHEK1AXL
SCHEMBL12374406 0.75 MAPK1 (0.39) MAPK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 TRPA1 4884/4885TRPM8 4745/4885TRPV1 4830/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 TRPA1 4883/4885TRPM8 4699/4885TRPV1 4818/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 TRPA1 4883/4885TRPM8 4699/4885TRPV1 4818/4885

“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.