SCHEMBL857027

SCHEMBL857027

CCOC(=O)Cc1c(Cl)ccc2[nH]c(CN(C)C)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TSPO P30536 1/20 0.38
SIRT1 Q96EB6 2/20 0.37
HTR7 P34969 2/20 0.37
HTR6 P50406 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1F P30939 1/20 0.37
DRD3 P35462 1/20 0.37
MAPT P10636 1/20 0.36
JAK2 O60674 1/20 0.36
PAK4 O96013 1/20 0.36

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
SCHEMBL6264364 0.83 PTGS2 (0.38) KDM4ELMNAHTR1APKM
SCHEMBL856959 0.83 SIRT1 (0.48) TSPOSIRT1HTR7HTR6ADRA2A
SCHEMBL28758655 0.79 RAD52 (0.43) KDM4EALDH1A1HPGDHSD17B10HTR7
SCHEMBL989779 0.76 CYP4F2 (0.40) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL3588780 0.75 CYP4F2 (0.40) KDM4ELMNAALDH1A1HSD17B10SMN1; SMN2
Dimethylamine SCHEMBL5206984 0.74 KDM4E (0.39) KDM4ELMNAALDH1A1SMN1; SMN2HTR7
SCHEMBL8296306 0.73 PRSS1 (0.55) KDM4ELMNAALDH1A1HPGDTSPO
SCHEMBL3603172 0.72 AR (0.40) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL8291738 0.70 KDM4E (0.69) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL11331437 0.70 KDM4E (0.49) KDM4ELMNAALDH1A1SMN1; SMN2MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2075249-B1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2012-03-28 EP disclosed
US-7820672-B2 3-[5-chloro-6-methyl-2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-4-( 1H-indol-3-yl)-pyrrole-2,5-dione; T lymphocytes, Protein Kinase C (PKC) and glycogen synthase kinase 3 beta (GSK3B) mediated diseases; NOVARTIS AG (CH) 2010-10-26 US disclosed
EP-1597250-B1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2010-04-07 EP disclosed
EP-2075249-A2 Indolylmaleimide derivatives Novartis AG (CH) 2009-07-01 EP disclosed
US-20060058356-A1 Indolylmaleimide derivatives NOVARTIS AG 2006-03-16 US disclosed
EP-1597250-A2 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2005-11-23 EP disclosed
WO-2004072062-A2 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2004-08-26 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 (1 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-20060058356-A1 Indolylmaleimide derivatives GSK3B, GSK3A, GSKIP KDM4E 1101/4885LMNA 1298/4885ALDH1A1 3792/4885

“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.