SCHEMBL3333307

SCHEMBL3333307

Oc1cc2ccccc2c(-c2c[nH]c3ncccc23)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.52
CCNB2 O95067 3/20 0.49
CDK1 P06493 3/20 0.49
CCNB1 P14635 3/20 0.49
CCNB3 Q8WWL7 3/20 0.49
RET P07949 2/20 0.49
IKBKE Q14164 2/20 0.48
TBK1 Q9UHD2 1/20 0.48
DYRK1A Q13627 6/20 0.47
MAP4K4 O95819 4/20 0.46
PIM1 P11309 4/20 0.46
PRKACA P17612 4/20 0.46
GSK3B P49841 4/20 0.46
CLK4 Q9HAZ1 4/20 0.46
CDK9 P50750 4/20 0.46
CDK5 Q00535 4/20 0.46
CDK2 P24941 3/20 0.46
HIPK2 Q9H2X6 3/20 0.46
PDPK1 O15530 3/20 0.46
ROCK2 O75116 2/20 0.46

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
SCHEMBL13302379 0.79 MAPT (0.51) CCNB2CDK1CCNB1CCNB3PIM1
SCHEMBL13302165 0.78 DYRK1A (0.56) CDC7CCNB2CDK1CCNB1CCNB3
SCHEMBL857148 0.75 TGFBR1 (0.57) CDC7CCNB2CDK1CCNB1CCNB3
SCHEMBL16720296 0.75 CDC7 (0.48) CDC7CCNB2CDK1CCNB1CCNB3
SCHEMBL3339744 0.74 BRD4 (0.67) CDC7CCNB2CDK1CCNB1CCNB3
SCHEMBL13302381 0.74 MAPT (0.44)
SCHEMBL5618155 0.74 TGFBR1 (0.71) CDC7IKBKETBK1DYRK1AMAP4K4
SCHEMBL15397129 0.72 IKBKE (0.78) CDC7CCNB2CDK1CCNB1CCNB3
SCHEMBL918396 0.72 TRPM4 (0.60)
SCHEMBL29381319 0.72 TRPM4 (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 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-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS SNCA, MAPT, APP CDC7 4660/4885CCNB2 4750/4885CDK1 3258/4885

“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.