SCHEMBL1461865

SCHEMBL1461865

O=C(O)c1cc(F)cc2c(O)ncnc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.36
RPS6KB1 P23443 6/20 0.35
AURKA O14965 3/20 0.35
AURKB Q96GD4 2/20 0.35
KDM4E B2RXH2 3/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
DHODH Q02127 5/20 0.34
PDPK1 O15530 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KMO O15229 1/20 0.32

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
SCHEMBL12075953 0.82 MAP4K4 (0.43) KEAP1RPS6KB1AURKAAURKBPDPK1
SCHEMBL1460911 0.80 DHODH (0.42) RPS6KB1AURKAKDM4EDHODH
SCHEMBL1462303 0.80 KDM4E (0.32) KDM4EMEN1KMT2A
SCHEMBL30975255 0.77 CDK8 (0.35) KDM4EALDH1A1
SCHEMBL1462948 0.74 HTT (0.34) KDM4EALDH1A1MEN1KMT2A
SCHEMBL667822 0.72 KDM4E (0.47) RPS6KB1AURKAAURKBKDM4EALDH1A1
SCHEMBL31507137 0.69 DHODH (0.49) DHODHALDH1A1GAAMEN1KMT2A
SCHEMBL1463050 0.69 ALDH1A1 (0.40) KEAP1RPS6KB1AURKAAURKBKDM4E
SCHEMBL4450948 0.67 KDM4E (0.46) KEAP1KDM4EASPHKDM8HCAR1
SCHEMBL28857296 0.67 KEAP1 (0.42) KEAP1KDM4EHCAR1DHODHALDH1A1

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
CN-102858754-A RAF inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC 2013-01-02 CN 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

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 KEAP1 416/4885RPS6KB1 315/4885AURKA 1013/4885

“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.