SCHEMBL3607747

SCHEMBL3607747

CN(C)Cc1ccc2ncc(CC(N)=O)n2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
PARP1 P09874 3/20 0.36
PARP2 Q9UGN5 2/20 0.36
PARP3 Q9Y6F1 1/20 0.36
MLLT3 P42568 1/20 0.36
MLLT1 Q03111 1/20 0.36
PLK1 P53350 1/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 2/20 0.33
GGPS1 O95749 1/20 0.33
FDPS P14324 1/20 0.33

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
SCHEMBL2262019 0.85 KDM4E (0.39) POLBPARP1TGFBR1CA2
SCHEMBL3595383 0.83 POLB (0.46) POLBMLLT3MLLT1TGFBR1
SCHEMBL27759333 0.78 POLB (0.46) POLBNOS3NOS1NOS2MLLT3
SCHEMBL27076992 0.77 TGFBR1 (0.44) POLBMLLT3MLLT1HDAC3HDAC6
SCHEMBL2260901 0.76 POLB (0.56) POLB
SCHEMBL2260330 0.76 ADORA2A (0.41) TGFBR1
SCHEMBL2259799 0.76 POLB (0.37) POLBTGFBR1
SCHEMBL2264081 0.76 PRMT5 (0.40) POLBTGFBR1
SCHEMBL19788243 0.75 POLB (0.66) POLBTGFBR1AXLFLT3
SCHEMBL5768245 0.73 EIF2AK4 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742132-B2 Indolylmaleimide derivatives processes for their production and pharmaceutical compositions NOVARTIS AG (CH) 2014-06-03 US disclosed
US-8742132-B2 Indolylmaleimide derivatives processes for their production and pharmaceutical compositions NOVARTIS AG (CH) 2014-06-03 US disclosed
US-8742132-B2 Indolylmaleimide derivatives processes for their production and pharmaceutical compositions NOVARTIS AG (CH) 2014-06-03 US disclosed
EP-2094689-B1 INDOLYLMALEIMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-04-03 EP disclosed
US-20120219593-A1 INDOLYLMALEIMIDE DERIVATIVES PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS NOVARTIS AG 2012-08-30 US disclosed
US-20120219593-A1 INDOLYLMALEIMIDE DERIVATIVES PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS NOVARTIS AG 2012-08-30 US disclosed
US-20120219593-A1 INDOLYLMALEIMIDE DERIVATIVES PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS NOVARTIS AG 2012-08-30 US disclosed
US-8193236-B2 Indolylmaleimide derivatives processes for their production and pharmaceutical compositions NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193236-B2 Indolylmaleimide derivatives processes for their production and pharmaceutical compositions NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193236-B2 Indolylmaleimide derivatives processes for their production and pharmaceutical compositions NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100041693-A1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-18 US disclosed
US-20100041693-A1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-18 US disclosed
US-20100041693-A1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-18 US disclosed
CN-101558062-A Indolylmaleimide derivatives as kinase inhibitors NOVARTIS AG (CH) 2009-10-14 CN disclosed
EP-2094689-A2 INDOLYLMALEIMIDE DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008074752-A2 INDOLYLMALEIMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008074752-A2 INDOLYLMALEIMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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 (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-20120219593-A1 INDOLYLMALEIMIDE DERIVATIVES PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS RB1, INMT, IDH3A POLB 3910/4885NOS3 2383/4885NOS1 2656/4885
US-20100041693-A1 INDOLYLMALEIMIDE DERIVATIVES IDH3A, IDH2, INMT POLB 3694/4885NOS3 1652/4885NOS1 1681/4885

“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.