SCHEMBL4128170

SCHEMBL4128170

CC(=O)OCCn1ncc(Br)c1-c1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MAPT P10636 6/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
S1PR4 O95977 3/20 0.36
S1PR1 P21453 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MITF O75030 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
PTGIR P43119 2/20 0.34
RET P07949 1/20 0.34
PRKX P51817 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
POLB P06746 1/20 0.33
MAPK14 Q16539 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 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
SCHEMBL4125843 0.78 MAPK14 (0.37) MAPTPTGIRMAPK14CDC7LMNA
SCHEMBL27716487 0.77 SMN1; SMN2 (0.48) ALDH1A1S1PR1SMN1; SMN2MEN1KMT2A
SCHEMBL11123824 0.73 ALDH1A1 (0.37) ALDH1A1HRH2HRH1KDM4E
SCHEMBL4138280 0.72 MAPK1 (0.39) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4137079 0.69 BRAF (0.42) MAPTMEN1KMT2AMAPK14LMNA
SCHEMBL27718231 0.67 MAPK1 (0.58) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL11222288 0.66 MEN1 (0.40) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14578731 0.66 KMO (0.60) NPC1RAB9ASMN1; SMN2MITFMEN1
SCHEMBL5726187 0.65 ALDH1A1 (0.46) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL4918462 0.65 MAPK14 (0.67) MAPK14

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-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS LAIRD ELLEN 2009-07-09 US disclosed
US-7491829-B2 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. (US) 2009-02-17 US disclosed
EP-1846391-A2 RAF INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2007-10-24 EP disclosed
US-20060189627-A1 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. 2006-08-24 US disclosed
WO-2006084015-A2 RAF INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2006-08-10 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 (2 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-20060189627-A1 RAF inhibitor compounds and methods BRAF, RAF1, ARAF ALDH1A1 1320/4885MAPT 4407/4885NPC1 2380/4885
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS BRAF, RAF1, ARAF ALDH1A1 1320/4885MAPT 4407/4885NPC1 2380/4885

“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.