SCHEMBL14924323

SCHEMBL14924323

CC(C)N1Cc2c(sc3c2CCCC3)C1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
HPGD P15428 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.33
ELANE P08246 2/20 0.33
ALOX15 P16050 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APP P05067 1/20 0.31
HIF1A Q16665 1/20 0.31
ERCC5 P28715 1/20 0.31

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
SCHEMBL10255521 0.86 GRM5 (0.36) ALDH1A1HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL14926951 0.78 ALDH1A1 (0.40) ALDH1A1HPGDCYP1A2KDM4EHSD17B10
SCHEMBL14924338 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL14934338 0.75 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL22074117 0.74 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EHSD17B10ELANE
SCHEMBL12177873 0.70 ALDH1A1 (0.39) ALDH1A1HPGDCYP1A2CYP2C19HSD17B10
SCHEMBL25761965 0.67 IDH1 (0.33)
SCHEMBL10255115 0.66 IDH1 (0.38) ALDH1A1HPGDALOX15HTT
SCHEMBL10255190 0.64 GRM5 (0.34) ALDH1A1RAB9A
SCHEMBL1393045 0.64 ALDH1A1 (0.39) ALDH1A1HPGDCYP1A2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210079002-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2021-03-18 US disclosed
US-RE48239-E1 Heteroaryl pyridone and aza-pyridone compounds GENETECH, INC. (US) 2020-10-06 US disclosed
US-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2020-02-27 US disclosed
US-20190194209-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2019-06-27 US disclosed
US-20190194203-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2019-06-27 US disclosed
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2018-03-15 US disclosed
US-20180057500-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-03-01 US disclosed
US-20180057500-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2018-03-01 US disclosed
US-8921353-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-12-30 US disclosed
US-20140378432-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH INC (US) 2014-12-25 US disclosed
US-20140221365-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2014-08-07 US disclosed
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2014-07-10 US disclosed
US-8729072-B2 Alkylated piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2014-05-20 US disclosed
US-8722676-B2 Bicyclic piperazine compounds GENENTECH, INC. (US) 2014-05-13 US disclosed
US-8716274-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-05-06 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-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 US 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 (13 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-20190194203-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK ALDH1A1 4684/4885HPGD 1093/4885CYP1A2 1204/4885
US-20180057500-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE BTK, IRAK3, IRAK1 ALDH1A1 3327/4885HPGD 1550/4885CYP1A2 2046/4885
US-20140221365-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK ALDH1A1 3275/4885HPGD 3089/4885CYP1A2 3623/4885
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK ALDH1A1 4684/4885HPGD 1093/4885CYP1A2 1204/4885
US-20190194209-A1 PYRAZOLE CARBOXAMIDE COMPOUNDS AND METHODS OF USE BTK, IRAK3, IRAK1 ALDH1A1 3327/4885HPGD 1550/4885CYP1A2 2046/4885
US-20130116245-A1 ALKYLATED PIPERAZINE COMPOUNDS BTK, SYK, LCK ALDH1A1 3511/4885HPGD 2456/4885CYP1A2 2680/4885
US-20200062769-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 ALDH1A1 4561/4885HPGD 1222/4885CYP1A2 1477/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 ALDH1A1 4561/4885HPGD 1222/4885CYP1A2 1477/4885
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 ALDH1A1 4251/4885HPGD 1266/4885CYP1A2 862/4885
US-20140378432-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 ALDH1A1 4561/4885HPGD 1222/4885CYP1A2 1477/4885
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 ALDH1A1 4251/4885HPGD 1266/4885CYP1A2 862/4885
US-20130116262-A1 BICYCLIC PIPERAZINE COMPOUNDS BTK, LCK, SYK ALDH1A1 3810/4885HPGD 2070/4885CYP1A2 2991/4885
US-20210079002-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 ALDH1A1 4561/4885HPGD 1222/4885CYP1A2 1477/4885

“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.