Sugi Predict

Sugi Predict / Compounds / SCHEMBL6994919

SCHEMBL6994919

SCHEMBL6994919

Cn1cc(/C=C/C(=O)O)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 10/20 0.39
▸ HDAC4 P56524 10/20 0.39
▸ HDAC1 Q13547 10/20 0.39
▸ HDAC7 Q8WUI4 10/20 0.39
▸ HDAC2 Q92769 10/20 0.39
▸ HDAC10 Q969S8 10/20 0.39
▸ HDAC11 Q96DB2 10/20 0.39
▸ HDAC8 Q9BY41 10/20 0.39
▸ HDAC6 Q9UBN7 10/20 0.39
▸ HDAC9 Q9UKV0 10/20 0.39
▸ HDAC5 Q9UQL6 10/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HCAR2 Q8TDS4 3/20 0.37
▸ CA12 O43570 1/20 0.37
▸ AKR1B10 O60218 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37

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
SCHEMBL6994925 1.00 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6996836 0.81 CA12 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20518390 0.77 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20518379 0.77 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20518380 0.77 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20518391 0.77 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18700765 0.77 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20518392 0.77 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16852894 0.77 CA12 (0.49) KDM4ELMNAHCAR2CA12CA1
SCHEMBL18733653 0.77 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2

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 23 patents — showing the first 20. 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
US-20200071310-A1 N-ARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-05 — — US disclosed
EP-3601259-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 — — EP disclosed
US-20200031820-A1 3-CARBOXYLIC ACID PYRROLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-01-30 — — US disclosed
CN-110709392-A Isoquinoline as HPK1 inhibitors 豪夫迈·罗氏有限公司 2020-01-17 — — CN disclosed
EP-3551621-A1 N-ARYL PYRAZOLES AS NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-16 — — EP disclosed
US-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 — — US disclosed
US-20180282283-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-10-04 — — US disclosed
WO-2018183964-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 — — WO disclosed
WO-2018109642-A1 N-ARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 — — WO disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 — — US disclosed
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 — — EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 — — US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 — — US disclosed
EP-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 — — EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 — — 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 (7 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-20180282283-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 HDAC3 270/4885HDAC4 683/4885HDAC1 353/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 HDAC3 348/4885HDAC4 805/4885HDAC1 861/4885
US-20200031820-A1 3-CARBOXYLIC ACID PYRROLES AS NRF2 REGULATORS NFE2L2, KEAP1, NFE2 HDAC3 524/4885HDAC4 1886/4885HDAC1 942/4885
US-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HPGDS, IP6K1 HDAC3 1591/4885HDAC4 1597/4885HDAC1 1140/4885
US-20200071310-A1 N-ARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, NQO1, KEAP1 HDAC3 247/4885HDAC4 611/4885HDAC1 362/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 HDAC3 1323/4885HDAC4 1358/4885HDAC1 1031/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 HDAC3 1323/4885HDAC4 1358/4885HDAC1 1031/4885

“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.