SCHEMBL1490944

SCHEMBL1490944

CC(C)Oc1cc2ncc([N+](=O)[O-])cn2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
BRAF P15056 1/20 0.38
ALKBH5 Q6P6C2 6/20 0.36
FTO Q9C0B1 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP19A1 P11511 2/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33

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
SCHEMBL1490692 0.84 MAPT (0.43) MAPTALKBH5FTOCYP1A2CYP2C9
SCHEMBL1493305 0.82 MAPT (0.41) MAPTBRAFALKBH5FTOCYP1A2
SCHEMBL1493281 0.78 BRAF (0.40) MAPTBRAFALKBH5FTOCYP1A2
SCHEMBL1491001 0.77 MAPT (0.40) MAPTALKBH5FTOALDH1A1GAA
SCHEMBL1493434 0.77 ALDH1A1 (0.40) MAPTBRAFALKBH5FTOCYP1A2
SCHEMBL1493324 0.77 BRAF (0.38) BRAFALDH1A1LMNA
SCHEMBL1490967 0.75 MAPT (0.38) MAPTALKBH5FTOCYP1A2CYP2C9
SCHEMBL1493314 0.74 MAPT (0.63) MAPTALKBH5FTOCYP1A2CYP2C9
SCHEMBL1493336 0.71 ALKBH5 (0.61) MAPTALKBH5FTOMEN1KMT2A
SCHEMBL306639 0.71 HSPB1 (0.53) MAPTCYP1A2ALDH1A1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC (US) 2012-06-21 US disclosed
WO-2011025951-A1 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-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPT 900/4885BRAF 1/4885ALKBH5 4874/4885

“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.