SCHEMBL4765086

SCHEMBL4765086

Nc1c(CO)sc2cnccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
CASP1 P29466 1/20 0.50
HTT P42858 1/20 0.50
CASP7 P55210 1/20 0.50
NCOA1 Q15788 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RCE1 Q9Y256 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
CYP2A6 P11509 4/20 0.37
EP300 Q09472 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36
GSK3B P49841 2/20 0.35
RPS6KA3 P51812 2/20 0.35
CDK5 Q00535 2/20 0.35
CHEK1 O14757 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
SCHEMBL4724895 0.77 ALDH1A1 (0.52) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL19587052 0.76 GAA (0.53) KDM4EALDH1A1GLAGAAHPGD
Hydrochloric Acid SCHEMBL28051932 0.74 GAA (0.51) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4766200 0.72 KDM4E (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL15512118 0.71 KDM4E (0.68) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4723975 0.70 KDM4E (0.73) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL11885002 0.70 KDM4E (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL5622384 0.69 HPGD (0.64) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL31750714 0.69 TBXAS1 (0.36) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL5620698 0.68 ALDH1A1 (0.46) KDM4EALDH1A1GLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934228-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-06-25 EP disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF KDM4E 3956/4885ALDH1A1 1842/4885GLA 2371/4885

“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.