SCHEMBL1462290

SCHEMBL1462290

COC(=O)c1cc(C)cc2c(Cl)ncnc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.39
NR4A2 P43354 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 5/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
TP53 P04637 1/20 0.37
NQO2 P16083 1/20 0.37
RPS6KB1 P23443 2/20 0.37
AURKA O14965 1/20 0.37
ATR Q13535 1/20 0.36
PSMD14 O00487 1/20 0.36
MAPT P10636 2/20 0.36
ABL1 P00519 1/20 0.36
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 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
SCHEMBL666532 0.87 TP53 (0.46) CSNK2A1NR4A2ALDH1A1KDM4ETP53
SCHEMBL31721702 0.84 CSNK2A1 (0.38) CSNK2A1NR4A2ALDH1A1KDM4ETP53
SCHEMBL528759 0.84 KDM4E (0.40) CSNK2A1NR4A2ALDH1A1KDM4ETP53
SCHEMBL666811 0.84 CSNK2A1 (0.38) CSNK2A1NR4A2ALDH1A1KDM4ETP53
SCHEMBL667220 0.84 RPS6KB1 (0.47) NR4A2ALDH1A1KDM4ERPS6KB1AURKA
SCHEMBL1461776 0.84 NR4A2 (0.39) NR4A2ALDH1A1KDM4ECYP46A1RPS6KB1
SCHEMBL1461834 0.83 KDM4E (0.40) ALDH1A1KDM4ETP53RPS6KB1AURKA
SCHEMBL528450 0.82 RPS6KB1 (0.48) ALDH1A1KDM4ERPS6KB1AURKA
SCHEMBL527746 0.78 PSMD14 (0.46) NR4A2ALDH1A1KDM4ERPS6KB1AURKA
SCHEMBL31721750 0.75 CYP1A2 (0.44) ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
EP-2493865-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-09-05 EP disclosed
WO-2011025938-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO disclosed
WO-2011025938-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO 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-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CSNK2A1 598/4885NR4A2 3113/4885ALDH1A1 1048/4885

“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.