SCHEMBL20517822

SCHEMBL20517822

CCc1c(Br)cncc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.34
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL29843420 1.00 SSTR4 (0.34) SSTR4NFKB1NFKB2RELACYP1A2
SCHEMBL20525185 0.93 SSTR4 (0.32) SSTR4
SCHEMBL20517691 0.82
SCHEMBL30600754 0.82
SCHEMBL22885615 0.81 SSTR4 (0.33) SSTR4
SCHEMBL30799482 0.79 SSTR4 (0.32) SSTR4
SCHEMBL18085719 0.77 SSTR4 (0.36) SSTR4
SCHEMBL6503038 0.76 SSTR4 (0.38) SSTR4
SCHEMBL22636519 0.75 SSTR4 (0.32) SSTR4
SCHEMBL30823595 0.73 SSTR4 (0.35) SSTR4

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 7 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
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

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 SSTR4 4881/4885NFKB1 452/4885NFKB2 418/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 SSTR4 4875/4885NFKB1 366/4885NFKB2 343/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 SSTR4 4875/4885NFKB1 366/4885NFKB2 343/4885

“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.