SCHEMBL20517285

SCHEMBL20517285

COC(=O)Cc1ccncc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
PDE4A P27815 1/20 0.41
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
KMT2A Q03164 2/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 2/20 0.36
MAPK1 P28482 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL21855464 0.84 PKM (0.41) PDE4AKMT2ASMN1; SMN2HSD17B10
SCHEMBL19799358 0.84 CCNC (0.54) CCNCCDK8KDM4EALDH1A1GLA
SCHEMBL15434658 0.81 CCNC (0.42) CCNCCDK8KDM4EALDH1A1GLA
SCHEMBL18481211 0.81 CCNC (0.42) CCNCCDK8KDM4EALDH1A1GLA
SCHEMBL18808055 0.80 ALDH1A1 (0.54) CCNCCDK8KDM4EALDH1A1GLA
SCHEMBL27904192 0.79 NAPRT (0.47) CCNCCDK8PDE4AKDM4EALDH1A1
SCHEMBL18808054 0.78 CCNC (0.40) CCNCCDK8KDM4EALDH1A1GLA
SCHEMBL30416407 0.77 CCNC (0.47) CCNCCDK8PDE4AKDM4EALDH1A1
SCHEMBL8072878 0.77 KDM6B (0.46) CCNCCDK8KDM4EALDH1A1GAA
SCHEMBL31232942 0.77 NOD2 (0.44) CCNCCDK8KDM4EALDH1A1GLA

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 CCNC 4017/4885CDK8 959/4885PDE4A 2231/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 CCNC 3901/4885CDK8 840/4885PDE4A 1993/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 CCNC 3901/4885CDK8 840/4885PDE4A 1993/4885

“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.