Sugi Predict

Sugi Predict / Compounds / SCHEMBL13344151

SCHEMBL13344151

SCHEMBL13344151

O=C1NC(=O)c2ccc(-c3ccsc3)cc2/C1=C/Nc1ccc(N2CCC(N3CCCC3)CC2)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ DYRK1A Q13627 4/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ DYRK3 O43781 2/20 0.33
▸ DYRK2 Q92630 2/20 0.33
▸ DYRK1B Q9Y463 2/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ HRH3 Q9Y5N1 5/20 0.32
▸ KDM2B Q8NHM5 1/20 0.31
▸ STK10 O94804 1/20 0.31
▸ SLK Q9H2G2 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ CSNK1E P49674 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ PARP1 P09874 1/20 0.31

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
SCHEMBL3573105 0.87 FYN (0.42) HDAC1KCNH2HDAC2JAK2SYK
SCHEMBL3573113 0.87 FYN (0.42) HDAC1KCNH2HDAC2JAK2SYK
SCHEMBL3574499 0.85 RET (0.36) HDAC1KCNH2HDAC2JAK2SYK
SCHEMBL3574495 0.85 RET (0.36) HDAC1KCNH2HDAC2JAK2SYK
SCHEMBL3561979 0.84 ALK (0.37) ALKDYRK1ADYRK3DYRK2DYRK1B
SCHEMBL3561976 0.84 ALK (0.37) ALKDYRK1ADYRK3DYRK2DYRK1B
SCHEMBL3566080 0.84 NPY2R (0.37) KCNH2CCNT1CDK9MCHR1
SCHEMBL3566074 0.84 NPY2R (0.37) KCNH2CCNT1CDK9MCHR1
SCHEMBL3574889 0.84 HDAC1 (0.35) HDAC1KCNH2HDAC2HRH3STK10
SCHEMBL3574895 0.84 HDAC1 (0.35) HDAC1KCNH2HDAC2HRH3STK10

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 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-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

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 HDAC1 281/4885KCNH2 436/4885HDAC2 400/4885

“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.