SCHEMBL856959

SCHEMBL856959

CN(C)Cc1cc2c(CC(N)=O)c(Cl)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 10/20 0.48
MAP2 P11137 1/20 0.41
RHEB Q15382 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
PDE10A Q9Y233 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36
TSPO P30536 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
SCHEMBL857027 0.83 KDM4E (0.47) SIRT1ADRA2AADRA2BADRA2CHTR7
SCHEMBL28758655 0.78 RAD52 (0.43) MAP2RHEBPDE10AADRA2AADRA2B
SCHEMBL3452904 0.77 SIRT1 (0.68) SIRT1MAP2SIRT2PDE10AADRA2A
SCHEMBL992003 0.74 SLC6A4 (0.46) MAP2HTR2ASLC6A4HTR7HTR2B
SCHEMBL3588222 0.73 SLC6A4 (0.46) MAP2HTR2ASLC6A4HTR7HTR2B
SCHEMBL1028961 0.70 SLC6A4 (0.43) HTR2ASLC6A4
SCHEMBL3605492 0.69 MAP2 (0.44) SIRT1MAP2SIRT2
SCHEMBL1027515 0.66 SLC6A4 (0.39) HTR2ASLC6A4
SCHEMBL27380744 0.64 HTR7 (0.64) SIRT1HTR7HTR6
SCHEMBL6463083 0.63 ADRA2A (0.43) SIRT1HTR2AADRA2AADRA2BADRA2C

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 9 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
CN-100439359-C Indolylmaleimide derivatives NOVARTIS AG (CH) 2008-12-03 CN disclosed
US-20060058356-A1 Indolylmaleimide derivatives NOVARTIS AG 2006-03-16 US disclosed
CN-1742005-A Indolylmaleimide derivatives NOVARTIS AG (CH) 2006-03-01 CN 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 SIRT1 1759/4885MAP2 130/4885RHEB 2073/4885

“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.