SCHEMBL3607614

SCHEMBL3607614

CC(C)(C)OC(=O)n1ncc2c(N)ccc(Cl)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
FAAH O00519 1/20 0.35
ROCK2 O75116 1/20 0.35
CHEK2 O96017 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KA3 P51812 1/20 0.35
PAK1 Q13153 1/20 0.35
ROCK1 Q13464 1/20 0.35
DYRK1A Q13627 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
HDAC2 Q92769 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HDAC1 Q13547 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3604011 0.80 CHEK1 (0.41) MEN1KMT2AUSP2SCN9A
SCHEMBL31106018 0.79 ROCK2 (0.41) ELANEHSP90AA1HSP90AB1FAAHROCK2
SCHEMBL18953523 0.79 NPC1 (0.32) KMT2ASCN9A
SCHEMBL3605649 0.76 HSP90AA1 (0.36) HSP90AA1HSP90AB1FAAHNPBWR1MCHR1
SCHEMBL2478647 0.76 MAP2K4 (0.45) ELANEFAAHMEN1KMT2AHDAC1
SCHEMBL30556604 0.76 ROCK2 (0.42) ELANEHSP90AA1HSP90AB1FAAHROCK2
SCHEMBL29510728 0.76 MAP2K4 (0.45) ELANEFAAHMEN1KMT2AHDAC1
SCHEMBL21964282 0.74 MAP2K4 (0.39) ELANEFAAHROCK2CHEK2PRKACA
SCHEMBL8708836 0.73 ELANE (0.38) ELANEHSP90AA1HSP90AB1FAAHROCK2
SCHEMBL3695671 0.73 KMT2A (0.46) ELANEFAAHROCK2CHEK2PRKACA

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 ELANE 2028/4885HSP90AA1 528/4885HSP90AB1 447/4885

“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.