SCHEMBL798830

SCHEMBL798830

CC(C)c1ccc2nc(C(C)C)[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
PARG Q86W56 1/20 0.35
CYP1A2 P05177 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
GSK3B P49841 1/20 0.33
ALOX15 P16050 1/20 0.33
MLKL Q8NB16 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
ADORA2B P29275 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
SCHEMBL18949108 0.84 KDM4E (0.38) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL23815613 0.82 KDM4E (0.36) KDM4EHSD17B10LMNAALDH1A1PARG
SCHEMBL5990747 0.81 KDM4E (0.43) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL25049622 0.80 ADORA3 (0.38) KDM4ECYP1A2SCN10AADORA3
SCHEMBL23675588 0.79 ALDH1A1 (0.37) ALDH1A1
SCHEMBL18949090 0.77 KDM4E (0.40) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL12232006 0.77 KDM4E (0.40) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL12938120 0.75 KDM4E (0.48) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL15471951 0.75 LMNA (0.34) KDM4ELMNAALDH1A1
SCHEMBL12294460 0.75 KDM4E (0.39) KDM4EHSD17B10LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 US disclosed
US-20230285569-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF FRAGILE X Design Therapeutics, Inc. 2023-09-14 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
WO-2023133284-A2 COMPOUNDS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA Design Therapeutics, Inc. (US) 2023-07-13 WO disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230151001-A9 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-18 US disclosed
US-20230151001-A9 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-18 US disclosed
WO-2022150555-A2 METHODS AND COMPOUNDS FOR TREATING FRIEDREICH'S ATAXIA Design Therapeutics, Inc. (US) 2022-07-14 WO disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-7935530-B2 Selectively bind DNA and entering nucleus of cells; for modulating gene expression in cells CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-05-03 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-7713701-B2 DNA-binding polymers CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-05-11 US disclosed
US-20090155202-A1 DNA-BINDING POLYMERS CALIFORNIA INSTITUTE OF TECHNOLOGY 2009-06-18 US disclosed
US-7452730-B2 DNA-binding polymers CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-11-18 US disclosed
US-20080269138-A1 Polyamides with tail structures CALIFORNIA INSTITUTE OF TECHNOLOGY 2008-10-30 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 (12 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885HSD17B10 2002/4885LMNA 3118/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885HSD17B10 2002/4885LMNA 3118/4885
US-20080269138-A1 Polyamides with tail structures HNRNPH3, PCNA, DNAH12 KDM4E 1338/4885HSD17B10 1919/4885LMNA 533/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR KDM4E 4095/4885HSD17B10 1287/4885LMNA 1249/4885
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KDM4E 1193/4885HSD17B10 581/4885LMNA 2800/4885
US-20230151001-A9 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 KDM4E 1581/4885HSD17B10 3176/4885LMNA 4094/4885
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, CBL, UBQLN2 KDM4E 2603/4885HSD17B10 3834/4885LMNA 2020/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA KDM4E 4219/4885HSD17B10 1268/4885LMNA 2015/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 KDM4E 1321/4885HSD17B10 1474/4885LMNA 886/4885
US-20230285569-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF FRAGILE X CYFIP2, TPX2, CYFIP1 KDM4E 1660/4885HSD17B10 3388/4885LMNA 1622/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KDM4E 1193/4885HSD17B10 581/4885LMNA 2800/4885
US-20090155202-A1 DNA-BINDING POLYMERS PCNA, DDB1, TOP2A KDM4E 2859/4885HSD17B10 3317/4885LMNA 2336/4885

“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.