SCHEMBL3566337

SCHEMBL3566337

N#CCc1ccc(N/C=C2\C(=O)NC(=O)c3ccc(-c4ccc(-c5ccccc5)cc4)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
FLT3 P36888 2/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
TDP2 O95551 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
XBP1 P17861 1/20 0.35
PTBP1 P26599 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
SMAD3 P84022 1/20 0.35

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
SCHEMBL3566338 1.00 PIK3CA (0.41) PIK3CAPIK3CGFLT3ABCB1ABCG2
SCHEMBL3565384 0.98 PIK3CA (0.40) PIK3CAPIK3CGFLT3ABCB1ABCG2
SCHEMBL3565387 0.98 PIK3CA (0.40) PIK3CAPIK3CGFLT3ABCB1ABCG2
SCHEMBL3573898 0.91 KDR (0.38) PIK3CAPIK3CGFLT3ABCB1ABCG2
SCHEMBL3573894 0.91 KDR (0.38) PIK3CAPIK3CGFLT3ABCB1ABCG2
SCHEMBL3564021 0.90 MAOA (0.38) PIK3CAPIK3CGFLT3TDP2KMT2A
SCHEMBL3565722 0.90 KMT2A (0.37) PIK3CAPIK3CGABCB1ABCG2TDP2
SCHEMBL3573821 0.90 MAPT (0.42) PIK3CAPIK3CGFLT3TDP2MAPT
SCHEMBL3572606 0.90 PSEN1 (0.36) PIK3CAPIK3CGFLT3STK10SLK
SCHEMBL3573823 0.90 MAPT (0.42) PIK3CAPIK3CGFLT3TDP2MAPT

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 PIK3CA 1694/4885PIK3CG 2423/4885FLT3 3374/4885

“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.