SCHEMBL3565072

SCHEMBL3565072

CN(C)Cc1ccc(N/C=C2\C(=O)NC(=O)c3ccc(Nc4ccccc4)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
ALDH1A1 P00352 6/20 0.39
EGFR P00533 4/20 0.39
SRC P12931 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RGS12 O14924 1/20 0.39
GMNN O75496 1/20 0.39
PRKD3 O94806 1/20 0.39
LMNA P02545 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
PRKCA P17252 1/20 0.39
NFKB1 P19838 1/20 0.39
PRKCH P24723 1/20 0.39

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
SCHEMBL3565076 1.00 APP (0.41) APPALDH1A1EGFRSRCKDM4E
SCHEMBL3570696 0.89 APP (0.44) APPALDH1A1EGFRSRCKDM4E
SCHEMBL3570701 0.89 APP (0.44) APPALDH1A1EGFRSRCKDM4E
SCHEMBL3571424 0.88 CASP3 (0.47) ALDH1A1EGFRSRCMEN1KMT2A
SCHEMBL3571428 0.88 CASP3 (0.47) ALDH1A1EGFRSRCMEN1KMT2A
SCHEMBL3567085 0.87 KMT2A (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3567091 0.87 KMT2A (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3566604 0.86 PARP1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3566603 0.86 PARP1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL13343890 0.84 CDK4 (0.50) APPALDH1A1KDM4EMAPTKMT2A

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 4 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
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 APP 4705/4885ALDH1A1 61/4885EGFR 2997/4885

“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.