Sugi Predict

Sugi Predict / Compounds / SCHEMBL3593067

SCHEMBL3593067

SCHEMBL3593067

CCOC(=O)C(=O)c1c(C)nc2cnc(C(O[SiH](c3ccccc3)c3ccccc3)C(C)(C)C)cn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPK1 P28482 3/20 0.37
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KLK7 P49862 1/20 0.32
▸ GAA P10253 2/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL3593068 0.74 ALDH1A1 (0.41) ALDH1A1MAPK1HTTATML3MBTL1
SCHEMBL10038832 0.72 ALDH1A1 (0.38) ALDH1A1MAPK1HTTATML3MBTL1
SCHEMBL3593072 0.72 ALDH1A1 (0.40) ALDH1A1MAPK1HTTATML3MBTL1
SCHEMBL3147200 0.69 CYP19A1 (0.37) ALDH1A1ATMKMT2AKDM4EMEN1
SCHEMBL3018601 0.66 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1RAB9ANPC1
SCHEMBL14151668 0.66 — —
SCHEMBL13500447 0.66 MAPK1 (0.50) ALDH1A1MAPK1HTTATML3MBTL1
SCHEMBL14151705 0.66 CPA1 (0.34) —
SCHEMBL3608378 0.65 KMT2A (0.33) ALDH1A1MAPK1KMT2AKDM4EGAA
SCHEMBL5777081 0.64 ABCB1 (0.50) ALDH1A1RAB9ANPC1KMT2ACYP1A2

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 7 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
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-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
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 129/4885MAPK1 3521/4885HTT 1348/4885
US-20100041693-A1 INDOLYLMALEIMIDE DERIVATIVES IDH3A, IDH2, INMT ALDH1A1 43/4885MAPK1 3536/4885HTT 1379/4885

“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.