SCHEMBL1493335

SCHEMBL1493335

Cn1cc(-c2cc3ncc([N+](=O)[O-])cn3n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALKBH5 Q6P6C2 10/20 0.45
FTO Q9C0B1 4/20 0.45
ERN1 O75460 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CHEK1 O14757 1/20 0.39
BRAF P15056 1/20 0.39
MET P08581 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
FYN P06241 2/20 0.38

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
SCHEMBL1493336 0.82 ALKBH5 (0.61) MAPTALKBH5FTO
SCHEMBL1493350 0.82 ALKBH5 (0.44) MAPTALKBH5FTO
SCHEMBL1493314 0.82 MAPT (0.63) MAPTALKBH5FTO
SCHEMBL1490935 0.79 ALKBH5 (0.51) MAPTALKBH5FTO
SCHEMBL1493371 0.79 ALKBH5 (0.63) MAPTALKBH5FTO
SCHEMBL1493265 0.77 ALKBH5 (0.53) MAPTALKBH5FTOFYN
SCHEMBL1493264 0.77 CHEK1 (0.43) CHEK1BRAFKDM5BFYN
SCHEMBL1493274 0.76 MET (0.48) MAPTALKBH5FTOMETFYN
SCHEMBL1493267 0.75 ALKBH5 (0.51) MAPTALKBH5FTOBRAFFYN
SCHEMBL545037 0.73 ACVR1B (0.47) MAPTERN1CCNT1CCNE2CCNE1

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 900/4885ALKBH5 4874/4885FTO 4701/4885

“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.