SCHEMBL3605649

SCHEMBL3605649

CC(C)(C)OC(=O)n1nc(Cl)c2c(N)ccc(Cl)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
FAAH O00519 1/20 0.35
POLB P06746 1/20 0.35
RIPK2 O43353 3/20 0.33
MAP2K4 P45985 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
NR1H2 P55055 1/20 0.32
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 1/20 0.31
PBRM1 Q86U86 1/20 0.31
RET P07949 2/20 0.31
KDR P35968 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
BCHE P06276 1/20 0.31
STS P08842 1/20 0.31
NPBWR1 P48145 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
SCHEMBL14272074 0.87 HSP90AA1 (0.34) HSP90AA1HSP90AB1FAAHPOLBMAP2K4
SCHEMBL3615038 0.85 FAAH (0.35) HSP90AA1HSP90AB1FAAHPOLBRIPK2
SCHEMBL3607147 0.79 MAP2K4 (0.41) HSP90AA1HSP90AB1FAAHPOLBMAP2K4
SCHEMBL3598125 0.77 DUT (0.31)
SCHEMBL3607614 0.76 ELANE (0.37) HSP90AA1HSP90AB1FAAHPOLBKMT2A
SCHEMBL14271998 0.70 FAAH (0.33) FAAHMAP2K4HDAC1HDAC2
SCHEMBL7016168 0.70 L3MBTL1 (0.44) FAAHPOLBMAP2K4KMT2AMEN1
SCHEMBL25292632 0.68 STS (0.37) HSP90AA1HSP90AB1FAAHPOLBMAP2K4
SCHEMBL6168961 0.68 NR1H2 (0.41) HSP90AA1HSP90AB1FAAHPOLBMAP2K4
SCHEMBL31106018 0.68 ROCK2 (0.41) HSP90AA1HSP90AB1FAAHPOLBMAP2K4

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 5 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

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 HSP90AA1 528/4885HSP90AB1 447/4885FAAH 3111/4885

“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.