SCHEMBL3575170

SCHEMBL3575170

CC(C)N1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(I)cc43)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
APP P05067 1/20 0.38
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 3/20 0.36
ALK Q9UM73 3/20 0.36
PKM P14618 1/20 0.36
GLA P06280 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
WEE1 P30291 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CSF1R P07333 1/20 0.33
FGFR3 P22607 1/20 0.33
MT-CO2 P00403 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC4 P56524 1/20 0.32
ABL1 P00519 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
SCHEMBL3575167 1.00 MAPT (0.38) MAPTAPPALDH1A1KDM4EALK
SCHEMBL3568509 0.90 MAPT (0.35) MAPTAPPALDH1A1KDM4EGLA
SCHEMBL3568511 0.90 MAPT (0.35) MAPTAPPALDH1A1KDM4EGLA
SCHEMBL3570751 0.89 CSF1R (0.42) MAPTAPPALDH1A1MEN1KMT2A
SCHEMBL3570748 0.89 CSF1R (0.42) MAPTAPPALDH1A1MEN1KMT2A
SCHEMBL3567793 0.88 MAPT (0.34) MAPTAPPALDH1A1KDM4EGLA
SCHEMBL3567798 0.88 MAPT (0.34) MAPTAPPALDH1A1KDM4EGLA
SCHEMBL3573285 0.88 MAPT (0.34) MAPTAPPALDH1A1KDM4EGLA
SCHEMBL3573283 0.88 MAPT (0.34) MAPTAPPALDH1A1KDM4EGLA
SCHEMBL3567587 0.86 KDM4E (0.40) MAPTAPPALDH1A1KDM4EPKM

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 6 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
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

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 4095/4885APP 4705/4885ALDH1A1 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.