SCHEMBL4137079

SCHEMBL4137079

Cn1ncc(Br)c1-c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.42
MAPK3 P27361 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR2A P28223 3/20 0.40
GAA P10253 1/20 0.38
NSD3 Q9BZ95 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PDE10A Q9Y233 7/20 0.36
PDE4B Q07343 3/20 0.36
PDE4A P27815 2/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NFATC1 O95644 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL3562130 0.82 HTR2A (0.47) HTR2ALMNAMAPTAKT1HTR2C
SCHEMBL23087698 0.81 NPC1 (0.41) HTR2AMAPTAKT1HTR2C
Ammonia Solution, Strong SCHEMBL6202263 0.81 HTR2A (0.46) HTR2ALMNAMAPTAKT1HTR2C
SCHEMBL15885278 0.80 CYP2A6 (0.47) HTR2ALMNAMAPTDYRK1A
SCHEMBL9933261 0.79 HTR2A (0.54) MAPK1HTR2AMEN1KMT2AAKT1
SCHEMBL3489027 0.79 HTR2A (0.45) HTR2AGAAMAPK14AKT1HTR2C
SCHEMBL23087462 0.78 HTR2A (0.46) HTR2ALMNAMAPTMEN1KMT2A
SCHEMBL23087266 0.77 PTK2 (0.45) HTR2AAKT1
SCHEMBL23087750 0.77 HTR2A (0.50) HTR2AMAPTPDE10AMEN1KMT2A
SCHEMBL4125843 0.74 MAPK14 (0.37) MAPK1LMNAMAPTMAPK14GSK3B

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 BRAF 1/4885MAPK3 55/4885MAPK1 57/4885
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS BRAF, RAF1, ARAF BRAF 1/4885MAPK3 55/4885MAPK1 57/4885

“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.