SCHEMBL3568233

SCHEMBL3568233

O=C1NC(=O)c2ccc(I)cc2C1=CNc1ccc(CN2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALK Q9UM73 1/20 0.37
PKM P14618 1/20 0.36
APP P05067 1/20 0.35
RET P07949 1/20 0.33
CSF1R P07333 1/20 0.33
HIF1A Q16665 3/20 0.33
EPAS1 Q99814 3/20 0.33
LMNA P02545 1/20 0.33
ACP1 P24666 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
JAK1 P23458 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
SCHEMBL13344254 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL3574171 0.90 CDK4 (0.38) KMT2AALDH1A1MAPTKDM4EAPP
SCHEMBL3574166 0.90 CDK4 (0.38) KMT2AALDH1A1MAPTKDM4EAPP
SCHEMBL3568522 0.89 CDK4 (0.39) KMT2AALDH1A1RAB9AMAPTKDM4E
SCHEMBL3568526 0.89 CDK4 (0.39) KMT2AALDH1A1RAB9AMAPTKDM4E
SCHEMBL3571258 0.87 HIF1A (0.47) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL3571253 0.87 HIF1A (0.47) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL3572642 0.85 ALDH1A1 (0.36) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL3572638 0.85 ALDH1A1 (0.36) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL13344057 0.83 MAPT (0.34) ALDH1A1MAPTKDM4EAPPCSF1R

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-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US claimed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP claimed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 WO claimed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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 (1 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 MEN1 1015/4885KMT2A 1053/4885ALDH1A1 61/4885

“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.