SCHEMBL1490967

SCHEMBL1490967

CSc1cc2ncc([N+](=O)[O-])cn2n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
ALKBH5 Q6P6C2 7/20 0.37
FTO Q9C0B1 3/20 0.37
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 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 0.79 MAPT (0.43) MAPTALKBH5FTOMEN1RECQL
SCHEMBL1493305 0.77 MAPT (0.41) MAPTALKBH5FTOMEN1KMT2A
SCHEMBL1490944 0.75 MAPT (0.38) MAPTALKBH5FTOMEN1RECQL
SCHEMBL1493336 0.75 ALKBH5 (0.61) MAPTALKBH5FTOMEN1KMT2A
SCHEMBL1493314 0.74 MAPT (0.63) MAPTALKBH5FTOALDH1A1RAB9A
SCHEMBL1493281 0.73 BRAF (0.40) MAPTALKBH5FTOMEN1RECQL
SCHEMBL1493319 0.72 MAPT (0.55) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL1493335 0.72 MAPT (0.45) MAPTALKBH5FTO
SCHEMBL1493371 0.71 ALKBH5 (0.63) MAPTALKBH5FTOMEN1KMT2A
SCHEMBL1491001 0.71 MAPT (0.40) MAPTALKBH5FTORECQLTDP1

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.