Sugi Predict

Sugi Predict / Compounds / SCHEMBL3593068

SCHEMBL3593068

SCHEMBL3593068

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPK1 P28482 3/20 0.38
▸ HTT P42858 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ GAA P10253 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TGFBR1 P36897 2/20 0.32

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
SCHEMBL10038832 0.80 ALDH1A1 (0.38) ALDH1A1MAPK1HTTATML3MBTL1
SCHEMBL26092925 0.76 KDM4E (0.47) ALDH1A1RAB9ANPC1CYP1A2SMN1; SMN2
SCHEMBL3593072 0.75 ALDH1A1 (0.40) ALDH1A1MAPK1HTTATML3MBTL1
SCHEMBL3593067 0.74 ALDH1A1 (0.40) ALDH1A1MAPK1HTTATML3MBTL1
SCHEMBL3596211 0.73 GRM5 (0.35) ALDH1A1MAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL3594242 0.69 SLC2A2 (0.46) ALDH1A1MAPK1L3MBTL1RAB9ANPC1
SCHEMBL3147204 0.69 CYP19A1 (0.38) ALDH1A1ATMKMT2AMEN1
SCHEMBL17611621 0.68 CYP1A2 (0.43) CYP1A2GRM5GRM1
SCHEMBL6222676 0.68 SMN1; SMN2 (0.42) ALDH1A1MAPK1L3MBTL1RAB9ANPC1
SCHEMBL13500447 0.67 MAPK1 (0.50) ALDH1A1MAPK1HTTATML3MBTL1

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.