SCHEMBL20517850

SCHEMBL20517850

CCn1nc(C(N)=O)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 1/20 0.35
PLA2G10 O15496 1/20 0.35
SCD O00767 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PTGER1 P34995 3/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
AHR P35869 1/20 0.33
RIPK2 O43353 1/20 0.33
LCK P06239 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL1232406 0.80 AURKA (0.55) AURKARPS6KB1L3MBTL1ALDH1A1KDM4E
SCHEMBL20516624 0.79 KDM4E (0.41) AURKARPS6KB1ALDH1A1KDM4ENPSR1
SCHEMBL1233269 0.79 AURKA (0.37) AURKARPS6KB1L3MBTL1ALDH1A1KDM4E
SCHEMBL15509172 0.76 PLA2G10 (0.47) L3MBTL1ALDH1A1KDM4EPLA2G10SCD
SCHEMBL1233916 0.75 PTGER1 (0.39) AURKARPS6KB1L3MBTL1ALDH1A1KDM4E
SCHEMBL6527928 0.75 CNR1 (0.45) AURKARPS6KB1ALDH1A1KDM4EHPGD
SCHEMBL2799347 0.73 CNR1 (0.45) AURKARPS6KB1L3MBTL1
SCHEMBL1233972 0.73 L3MBTL1 (0.36) AURKARPS6KB1L3MBTL1ALDH1A1KDM4E
SCHEMBL16824152 0.72 CA5A (0.52) ALDH1A1KDM4EPTGER1KMT2A
SCHEMBL1233850 0.71 CYP4F2 (0.33) AURKARPS6KB1L3MBTL1ALDH1A1KDM4E

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 10 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
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 AURKA 1797/4885RPS6KB1 343/4885L3MBTL1 1609/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 AURKA 1609/4885RPS6KB1 299/4885L3MBTL1 1511/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 AURKA 1609/4885RPS6KB1 299/4885L3MBTL1 1511/4885

“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.