SCHEMBL3600465

SCHEMBL3600465

CCOC(=O)Cc1c(C)oc2ccc(C#N)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 5/20 0.46
LMNA P02545 3/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 3/20 0.46
GLA P06280 2/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
P2RX3 P56373 1/20 0.43
TSHR P16473 1/20 0.42
GAA P10253 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC34A1 Q06495 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL14161827 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10LMNACASP1
SCHEMBL3595628 0.81 TSHR (0.47) ALDH1A1KDM4EHSD17B10LMNACASP1
SCHEMBL8469699 0.81 HSD17B10 (0.40) ALDH1A1KDM4EHSD17B10LMNACASP1
SCHEMBL11431453 0.80 USP14 (0.46) ALDH1A1KDM4EHSD17B10LMNACASP1
SCHEMBL3604645 0.80 NPC1 (0.46) ALDH1A1KDM4EHSD17B10LMNACASP1
SCHEMBL8469654 0.79 MTNR1A (0.45) ALDH1A1KDM4EGLAMAPTTSHR
SCHEMBL11431456 0.79 PDCD1 (0.41) ALDH1A1KDM4EHSD17B10LMNACASP1
SCHEMBL23117777 0.78 MAPT (0.47) ALDH1A1KDM4ELMNAMAPTTHRB
SCHEMBL23117350 0.77 PLK1 (0.55) ALDH1A1KDM4EHSD17B10LMNACASP1
SCHEMBL3603795 0.77 P2RX3 (0.47) ALDH1A1KDM4EHSD17B10LMNACASP1

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 16 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
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
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

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 ALDH1A1 129/4885KDM4E 50/4885HSD17B10 1155/4885
US-20100041693-A1 INDOLYLMALEIMIDE DERIVATIVES IDH3A, IDH2, INMT ALDH1A1 43/4885KDM4E 199/4885HSD17B10 769/4885

“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.