SCHEMBL3566356

SCHEMBL3566356

CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(-c5cccc(Cl)c5)cc43)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.47
TDP2 O95551 2/20 0.42
JAK2 O60674 2/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
EGFR P00533 2/20 0.40
PLK1 P53350 1/20 0.39
CSF1R P07333 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
AVPR1B P47901 2/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCHR1 Q99705 1/20 0.37
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL3566357 1.00 MAPKAPK2 (0.47) MAPKAPK2TDP2JAK2JAK1TYK2
SCHEMBL3564115 0.92 MAPKAPK2 (0.44) MAPKAPK2TDP2EGFRPLK1CSF1R
SCHEMBL3564117 0.92 MAPKAPK2 (0.44) MAPKAPK2TDP2EGFRPLK1CSF1R
SCHEMBL3574686 0.91 ALK (0.44) MAPKAPK2CSF1RRAB9ANPC1
SCHEMBL3574688 0.91 ALK (0.44) MAPKAPK2CSF1RRAB9ANPC1
SCHEMBL3573755 0.91 MAP4K1 (0.43) MAPKAPK2TDP2CSF1RRAB9ANPC1
SCHEMBL3573753 0.91 MAP4K1 (0.43) MAPKAPK2TDP2CSF1RRAB9ANPC1
SCHEMBL3574781 0.91 MAP4K1 (0.43) MAPKAPK2TDP2CSF1RRAB9ANPC1
SCHEMBL3574786 0.91 MAP4K1 (0.43) MAPKAPK2TDP2CSF1RRAB9ANPC1
SCHEMBL3565586 0.90 MAPKAPK2 (0.46) MAPKAPK2JAK2JAK3EGFRCSF1R

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 8 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
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 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 MAPKAPK2 4491/4885TDP2 511/4885JAK2 260/4885

“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.