SCHEMBL3559342

SCHEMBL3559342

CN1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccccc43)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
ERBB2 P04626 2/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CSF1R P07333 1/20 0.41
DYRK3 O43781 1/20 0.41
PIM1 P11309 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL3559339 1.00 TNK2 (0.46) TNK2MEN1KMT2ANPC1RAB9A
SCHEMBL4993657 0.89 MEN1 (0.57) TNK2MEN1KMT2ANPC1RAB9A
SCHEMBL4993651 0.89 MEN1 (0.57) TNK2MEN1KMT2ANPC1RAB9A
SCHEMBL3563378 0.87 MEN1 (0.45) MEN1KMT2ANPC1RAB9AERBB2
SCHEMBL3567592 0.87 KDM4E (0.40) PARP1PARP2ERBB2RETPDGFRB
SCHEMBL3567587 0.87 KDM4E (0.40) PARP1PARP2ERBB2RETPDGFRB
SCHEMBL3563382 0.87 MEN1 (0.45) MEN1KMT2ANPC1RAB9AERBB2
SCHEMBL3573755 0.87 MAP4K1 (0.43) TNK2NPC1RAB9ACSF1R
SCHEMBL3574786 0.87 MAP4K1 (0.43) TNK2NPC1RAB9ACSF1R
SCHEMBL3574781 0.87 MAP4K1 (0.43) TNK2NPC1RAB9ACSF1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 TNK2 873/4885MEN1 1015/4885KMT2A 1053/4885

“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.