SCHEMBL20516692

SCHEMBL20516692

O=[N+]([O-])c1cncc(I)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
GPR35 Q9HC97 1/20 0.37
TSHR P16473 3/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
VCAM1 P19320 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
USP7 Q93009 1/20 0.33
USP47 Q96K76 1/20 0.33
PIN1 Q13526 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
SCHEMBL12341859 0.85 ALDH1A1 (0.49) ALDH1A1MAPK1LMNAHTTTDP1
SCHEMBL4351783 0.79 ALDH1A1 (0.49) ALDH1A1MAPK1LMNAHTTTDP1
SCHEMBL16863649 0.76 GAA (0.37) ALDH1A1MAPK1LMNAHTTGPR35
SCHEMBL690866 0.76 ALDH1A1 (0.42) ALDH1A1MAPK1LMNAHTTTDP1
SCHEMBL14494900 0.76 ALDH1A1 (0.42) ALDH1A1MAPK1LMNAHTTTDP1
SCHEMBL30774720 0.76 ALDH1A1 (0.42) ALDH1A1MAPK1LMNAHTTTDP1
SCHEMBL30702012 0.76 ALDH1A1 (0.42) ALDH1A1MAPK1LMNAHTTTDP1
SCHEMBL7228049 0.72
SCHEMBL1671508 0.72 DTYMK (0.44) ALDH1A1MAPK1LMNAHTTTDP1
SCHEMBL30470782 0.72 ALDH1A1 (0.40) ALDH1A1MAPK1LMNAHTTTDP1

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-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2026-05-19 CN disclosed
US-12344623-B2 Thiazolopyridine derivatives as adenosine receptor antagonists DOMAIN THERAPEUTICS SA (FR) 2025-07-01 US 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
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 (4 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-12344623-B2 Thiazolopyridine derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 ALDH1A1 233/4885MAPK1 1972/4885LMNA 3805/4885
US-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HPGDS, IP6K1 ALDH1A1 4542/4885MAPK1 516/4885LMNA 3002/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 ALDH1A1 4451/4885MAPK1 546/4885LMNA 3272/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 ALDH1A1 4451/4885MAPK1 546/4885LMNA 3272/4885

“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.