SCHEMBL20517876

SCHEMBL20517876

CCOC(OCC)C(=O)NCc1cccc(F)c1Br

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.41
RIPK1 Q13546 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.39
BDKRB1 P46663 6/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1397059 0.86 RIPK1 (0.55) SLC1A2RIPK1ALDH1A1LMNATSHR
SCHEMBL20517793 0.84 ALDH1A1 (0.51) ALDH1A1TSHRRAB9ACARM1PRMT6
SCHEMBL21404564 0.84 ALDH1A1 (0.45) SLC1A2RIPK1ALDH1A1LMNABDKRB1
SCHEMBL1397074 0.80 RIPK1 (0.55) RIPK1ALDH1A1LMNATSHRRAB9A
SCHEMBL28515300 0.78 BDKRB1 (0.47) RIPK1ALDH1A1BDKRB1TSHRPKM
SCHEMBL19950428 0.76 TSHR (0.42) RIPK1ALDH1A1TSHRRAB9AMEN1
SCHEMBL21435278 0.74 ALDH1A1 (0.68) ALDH1A1TSHRRAB9AMEN1KMT2A
SCHEMBL21449431 0.74 ALDH1A1 (0.46) ALDH1A1LMNATSHRRAB9AMEN1
SCHEMBL19950485 0.74 RIPK1 (0.45) RIPK1LMNAPKMMAPK1RAB9A
SCHEMBL7318332 0.73 ALDH1A1 (0.56) ALDH1A1LMNATSHRMAPK1MEN1

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 12 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
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 SLC1A2 4627/4885RIPK1 99/4885ALDH1A1 4542/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 SLC1A2 4678/4885RIPK1 99/4885ALDH1A1 4451/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 SLC1A2 4678/4885RIPK1 99/4885ALDH1A1 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.