SCHEMBL1028096

SCHEMBL1028096

CN(C)Cc1cc2c(CC(N)=O)c(Cl)ccc2cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.38
HTR2A P28223 1/20 0.38
PLA2G2A P14555 2/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
ALDH1A1 P00352 1/20 0.33
NOTUM Q6P988 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PLAU P00749 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MELK Q14680 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
HTT P42858 1/20 0.31
MET P08581 1/20 0.30
MST1R Q04912 1/20 0.30

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
SCHEMBL1029539 0.86 KMT2A (0.34) ALDH1A1MEN1KMT2AMELK
SCHEMBL992003 0.80 SLC6A4 (0.46) SLC6A4HTR2APLA2G2ASLC6A2SLC6A3
SCHEMBL1027515 0.77 SLC6A4 (0.39) SLC6A4HTR2ASLC6A2SLC6A3NOTUM
SCHEMBL3588222 0.76 SLC6A4 (0.46) SLC6A4HTR2APLA2G2ASLC6A2SLC6A3
SCHEMBL1029824 0.76 SLC6A4 (0.36) SLC6A4HTR2ASLC6A2SLC6A3MELK
SCHEMBL1028961 0.76 SLC6A4 (0.43) SLC6A4HTR2ASLC6A2SLC6A3PARP1
SCHEMBL856959 0.70 SIRT1 (0.48) SLC6A4HTR2ASIRT1
SCHEMBL2319469 0.68 TRPV1 (0.41) HTT
SCHEMBL1028986 0.66 KDM4E (0.43) ALDH1A1MEN1KMT2A
SCHEMBL1031195 0.64 AKR1B1 (0.39) MELKMST1R

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
US-8426440-B2 Indolymaleimide derivatives NOVARTIS AG (CH) 2013-04-23 US disclosed
EP-2246346-B1 Indolylmaleimide derivatives as protein kinase inhibitors NOVARTIS AG (CH) 2012-10-24 EP disclosed
EP-1904482-B1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2011-01-19 EP disclosed
EP-2246346-A1 Indolylmaleimide derivatives as protein kinase inhibitors Novartis AG (CH) 2010-11-03 EP disclosed
US-20100273774-A1 INDOLYMALEIMIDE DERIVATIVES WAGNER JUERGEN 2010-10-28 US disclosed
US-7781438-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2010-08-24 US disclosed
US-20080318975-A1 Indolylmaleimide Derivatives NOVARTIS AG (CH) 2008-12-25 US disclosed
EP-1904482-A2 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2008-04-02 EP disclosed
WO-2007006533-A2 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2007-01-18 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 (2 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-20100273774-A1 INDOLYMALEIMIDE DERIVATIVES IDO1, INMT, IDO2 SLC6A4 3462/4885HTR2A 448/4885PLA2G2A 3896/4885
US-20080318975-A1 Indolylmaleimide Derivatives IDH3A, INMT, IDH3B SLC6A4 2812/4885HTR2A 1211/4885PLA2G2A 4330/4885

“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.