SCHEMBL18707129

SCHEMBL18707129

Cn1cc(C2CC2C(=O)O)cn1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.59
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
FFAR1 O14842 2/20 0.43
HCAR2 Q8TDS4 1/20 0.42
MAP4K1 Q92918 14/20 0.40
MAOA P21397 1/20 0.39

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
SCHEMBL22885894 1.00 HRH3 (0.59) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL18707030 1.00 HRH3 (0.59) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL22101598 0.88 HRH3 (0.51) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL21334459 0.86 HRH3 (0.59) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL31081530 0.86 HRH3 (0.59) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL20524367 0.85 HRH3 (0.58) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL18706539 0.83 HRH3 (0.53) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL21334463 0.82 HRH3 (0.63) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL21093378 0.82 HRH3 (0.56) HRH3HDAC3HDAC4HDAC7HDAC8
SCHEMBL21093383 0.82 HRH3 (0.56) HRH3HDAC3HDAC4HDAC7HDAC8

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398784-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-12-05 US disclosed
EP-4408427-A1 SYSTEM AND METHOD FOR STATIC AND DYNAMIC MRI SHIMMING Merck Sharp & Dohme LLC (US) 2024-08-07 EP disclosed
US-20230416225-A1 DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-28 US disclosed
EP-3601284-B1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-12-27 EP 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-20230295119-A1 SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES GOSSAMER BIO SERVICES INC (US) 2023-09-21 US disclosed
US-20230295119-A1 SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES GOSSAMER BIO SERVICES INC (US) 2023-09-21 US disclosed
EP-4240362-A1 DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 Merck Sharp & Dohme LLC (US) 2023-09-13 EP disclosed
WO-2023055679-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-04-06 WO disclosed
EP-3394044-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2018-10-31 EP disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 US disclosed
US-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 US disclosed
US-20180282328-A1 NAPHTHYRIDINES 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
WO-2018183956-A1 NAPHTHYRIDINES 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
WO-2017106556-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-06-22 WO disclosed
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 US disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 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-20230295119-A1 SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES IRAK3, TYK2, IRAK2 HRH3 165/4885HDAC3 716/4885HDAC4 2200/4885
US-20230416225-A1 DIAMINOPYRIMIDINE CARBOXAMIDE INHIBITORS OF HPK1 PDXK, PHKG1, PHKG2 HRH3 452/4885HDAC3 779/4885HDAC4 972/4885
US-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HPGDS, IP6K1 HRH3 217/4885HDAC3 1591/4885HDAC4 1597/4885
US-20180282328-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 NEK1, NEK5, NEK11 HRH3 137/4885HDAC3 2434/4885HDAC4 1245/4885
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS HRH3 4048/4885HDAC3 1503/4885HDAC4 2448/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 HRH3 1777/4885HDAC3 243/4885HDAC4 827/4885
US-20240398784-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, BRSK2 HRH3 675/4885HDAC3 1663/4885HDAC4 3181/4885

“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.