SCHEMBL1393045

SCHEMBL1393045

O=C1CCc2c1sc1c2CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 3/20 0.36
ALOX15 P16050 2/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 1/20 0.35
CHEK1 O14757 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.34
APP P05067 1/20 0.34
CYP1A2 P05177 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL19965740 0.74 BPTF (0.33) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL1392905 0.72 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL15318300 0.70 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL24419828 0.70 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL25050079 0.70 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL12177873 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDMAPTUSP2
SCHEMBL1393277 0.69 USP2 (0.38) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL1393276 0.69 USP2 (0.38) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL14926951 0.67 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL14934338 0.67 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
CN-116406259-A Dosage form compositions comprising inhibitors of BTK and mutants thereof 广州麓鹏制药有限公司 2023-07-07 CN disclosed
EP-4196124-A1 DOSAGE FORM COMPOSITIONS COMPRISING AN INHIBITOR OF BTK AND MUTANTS THEREOF Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2023-06-21 EP disclosed
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 EP disclosed
WO-2022036171-A1 DOSAGE FORM COMPOSITIONS COMPRISING AN INHIBITOR OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. (US) 2022-02-17 WO disclosed
EP-3521288-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2021-09-08 EP disclosed
US-20130116262-A1 BICYCLIC PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116262-A1 BICYCLIC PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20130116262-A1 BICYCLIC PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US disclosed
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2012-01-12 US disclosed
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2012-01-12 US disclosed
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2012-01-12 US disclosed
WO-2011140488-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2011-11-10 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 (5 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-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 ALDH1A1 4561/4885HSD17B10 2287/4885HPGD 1222/4885
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK ALDH1A1 3206/4885HSD17B10 2517/4885HPGD 735/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 ALDH1A1 4561/4885HSD17B10 2287/4885HPGD 1222/4885
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 ALDH1A1 4251/4885HSD17B10 2353/4885HPGD 1266/4885
US-20130116262-A1 BICYCLIC PIPERAZINE COMPOUNDS BTK, LCK, SYK ALDH1A1 3810/4885HSD17B10 3899/4885HPGD 2070/4885

“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.