SCHEMBL3603795

SCHEMBL3603795

CCOC(=O)Cc1c(C)oc2ccc(CN(C)C)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.47
TSHR P16473 4/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 4/20 0.45
KDM4E B2RXH2 3/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 2/20 0.45
GLA P06280 1/20 0.45
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 3/20 0.40
PTGS2 P35354 4/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3602772 0.84 LMNA (0.38) P2RX3TSHRALDH1A1LMNAHTT
SCHEMBL3595628 0.80 TSHR (0.47) P2RX3TSHRALDH1A1LMNAKDM4E
SCHEMBL14161827 0.80 ALDH1A1 (0.46) P2RX3TSHRALDH1A1LMNAKDM4E
SCHEMBL3604645 0.79 NPC1 (0.46) P2RX3TSHRALDH1A1LMNAKDM4E
SCHEMBL26078403 0.77 TSHR (0.46) P2RX3TSHRALDH1A1LMNAKDM4E
SCHEMBL3600465 0.77 ALDH1A1 (0.46) P2RX3TSHRALDH1A1LMNAKDM4E
SCHEMBL23117350 0.76 PLK1 (0.55) TSHRALDH1A1LMNAKDM4ECASP1
SCHEMBL989779 0.76 CYP4F2 (0.40) TSHRALDH1A1LMNAKDM4ECASP1
SCHEMBL8786029 0.74 CYP4Z1 (0.51) TSHRALDH1A1LMNAKDM4EHSD17B10
Dimethylamine SCHEMBL5206984 0.73 KDM4E (0.39) TSHRALDH1A1LMNAKDM4EMAPT

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
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
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 P2RX3 2738/4885TSHR 1676/4885ALDH1A1 129/4885
US-20100041693-A1 INDOLYLMALEIMIDE DERIVATIVES IDH3A, IDH2, INMT P2RX3 3235/4885TSHR 1067/4885ALDH1A1 43/4885

“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.