SCHEMBL3339744

SCHEMBL3339744

COc1cc2ccccc2c(-c2c[nH]c3ncccc23)c1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.67
DYRK1A Q13627 4/20 0.59
RET P07949 1/20 0.58
KDR P35968 1/20 0.56
FLT3 P36888 1/20 0.56
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
CDK2 P24941 5/20 0.45
CDK9 P50750 4/20 0.45
CCNT1 O60563 3/20 0.45
CCNA2 P20248 3/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
IKBKE Q14164 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
CDC7 O00311 4/20 0.43
ROCK2 O75116 2/20 0.43
PIM1 P11309 2/20 0.43

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
SCHEMBL1666739 0.81 BRD4 (1.00) BRD4DYRK1ARETKDRFLT3
SCHEMBL30663475 0.81 BRD4 (1.00) BRD4DYRK1ARETKDRFLT3
SCHEMBL13302165 0.77 DYRK1A (0.56) BRD4DYRK1ARETFLT3CCNB2
SCHEMBL857542 0.76 BRD4 (0.64) BRD4DYRK1ARETKDRFLT3
SCHEMBL3333307 0.74 CDC7 (0.52) DYRK1ARETFLT3CCNB2CDK1
SCHEMBL20293060 0.74 DYRK1A (1.00) BRD4DYRK1ARETKDRFLT3
SCHEMBL3773981 0.74 RET (1.00) BRD4RETCCNB2CDK1CCNB1
SCHEMBL29428421 0.73 MAPT (0.51)
SCHEMBL2698582 0.73 MAPT (0.51)
SCHEMBL857208 0.73 BRD4 (0.76) BRD4DYRK1AKIT

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 BRD4 521/4885DYRK1A 2055/4885RET 1503/4885

“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.