SCHEMBL3563995

SCHEMBL3563995

CO/C=C1/C(=O)NC(=O)c2ccc(-n3cccc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
RECQL P46063 1/20 0.38
PARP1 P09874 2/20 0.37
PARP2 Q9UGN5 1/20 0.37
PPOX P50336 1/20 0.35
KMT2A Q03164 6/20 0.33
MEN1 O00255 5/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GSK3B P49841 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CDK2 P24941 1/20 0.32
CASP3 P42574 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 4/20 0.32
GPR55 Q9Y2T6 1/20 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
SCHEMBL3563998 1.00 MAPT (0.38) MAPTRECQLPARP1PARP2PPOX
SCHEMBL3564000 1.00 MAPT (0.38) MAPTRECQLPARP1PARP2PPOX
SCHEMBL3564474 0.81 ALDH1A1 (0.49) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL3564475 0.81 ALDH1A1 (0.49) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL3571387 0.77 PPOX (0.62) PPOXMAOAMAOBRXFP1EGFR
SCHEMBL3571389 0.77 PPOX (0.62) PPOXMAOAMAOBRXFP1EGFR
SCHEMBL3562481 0.76 GSK3B (0.56) MAPTPARP1PARP2POLBGSK3B
SCHEMBL3562479 0.76 GSK3B (0.56) MAPTPARP1PARP2POLBGSK3B
SCHEMBL3566429 0.76 ALDH1A1 (0.47) KMT2AMEN1MAOAMAOBCDK2
SCHEMBL3559846 0.76 MAPT (0.46) MAPTRECQLPPOXKMT2AMEN1

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 9 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 disclosed
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
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
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
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
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 MAPT 4095/4885RECQL 2/4885PARP1 1048/4885

“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.