SCHEMBL3608534

SCHEMBL3608534

Cc1ccc(N)c2cn(C(=O)OC(C)(C)C)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.33
HDAC2 Q92769 3/20 0.32
HDAC1 Q13547 2/20 0.32
MAP4K4 O95819 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR1H2 P55055 1/20 0.32
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
PBRM1 Q86U86 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
BCHE P06276 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RGS12 O14924 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
GRM6 O15303 1/20 0.30
KIT P10721 1/20 0.30

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
SCHEMBL3603743 0.80 MEN1 (0.42) L3MBTL1HSP90AA1MEN1KMT2AMAPT
SCHEMBL31105862 0.75 ROCK2 (0.34) ROCK2MAP4K4L3MBTL1NR1H2SMARCA2
SCHEMBL1559237 0.75 ROCK2 (0.34) ROCK2MAP4K4L3MBTL1NR1H2SMARCA2
SCHEMBL20642480 0.71 BCHE (0.35) ROCK2L3MBTL1NR1H2BCHEUSP2
SCHEMBL13070808 0.71 BCHE (0.35) ROCK2L3MBTL1NR1H2BCHEMEN1
SCHEMBL17837216 0.71 ROCK2 (0.34) ROCK2MAP4K4NR1H2SMARCA2SMARCA4
SCHEMBL1862284 0.69 SMARCA2 (0.40) L3MBTL1NR1H2SMARCA2SMARCA4PBRM1
SCHEMBL31677645 0.69 NR1H2 (0.32) ROCK2MAP4K4NR1H2SMARCA2SMARCA4
SCHEMBL4699798 0.68 ROCK2 (0.36) ROCK2MAP4K4NR1H2SMARCA2SMARCA4
SCHEMBL22206161 0.68 ROCK2 (0.34) ROCK2MAP4K4NR1H2SMARCA2SMARCA4

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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
EP-2057168-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ROCK2 342/4885HDAC2 2582/4885HDAC1 1708/4885

“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.