SCHEMBL20517907

SCHEMBL20517907

O=C(Nc1cc2cc(I)c(Br)c(Cl)c2cn1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.55
MAP4K1 Q92918 3/20 0.54
JAK2 O60674 1/20 0.46
TYK2 P29597 1/20 0.46

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
SCHEMBL30600740 1.00 ABL1 (0.55) ABL1MAP4K1JAK2TYK2
SCHEMBL30600868 0.85 MAP4K1 (0.54) ABL1MAP4K1JAK2TYK2
SCHEMBL20516835 0.85 MAP4K1 (0.54) ABL1MAP4K1JAK2TYK2
SCHEMBL23429378 0.85 MAP4K1 (0.54) ABL1MAP4K1
SCHEMBL30600829 0.79 ABL1 (0.62) ABL1MAP4K1JAK2TYK2
SCHEMBL20517932 0.79 ABL1 (0.62) ABL1MAP4K1JAK2TYK2
SCHEMBL30600935 0.77 MAP4K1 (0.64) ABL1MAP4K1
SCHEMBL20517747 0.77 MAP4K1 (0.64) ABL1MAP4K1
SCHEMBL20517686 0.77 MAP4K1 (0.67) ABL1MAP4K1
SCHEMBL30600889 0.77 MAP4K1 (0.67) ABL1MAP4K1

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 9 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
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
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 ABL1 710/4885MAP4K1 50/4885JAK2 1986/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 ABL1 668/4885MAP4K1 46/4885JAK2 1848/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 ABL1 668/4885MAP4K1 46/4885JAK2 1848/4885

“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.