SCHEMBL1772956

SCHEMBL1772956

CN(C)c1c[nH]c2ncc(N)cc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 2/20 0.39
NTRK1 P04629 7/20 0.38
GSK3B P49841 1/20 0.37
KIT P10721 7/20 0.37
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
BRAF P15056 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
PIK3CA P42336 1/20 0.35
ABL1 P00519 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAP4K1 Q92918 1/20 0.34

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
SCHEMBL25839071 0.81 MAP3K11 (0.40) MAP3K11NTRK1KITBRAFMAPK8
SCHEMBL26018150 0.79 BRAF (0.40) MAP3K11NTRK1GSK3BKITCLK1
SCHEMBL10269012 0.77 MET (0.43) MAP3K11NTRK1GSK3BKITCLK1
SCHEMBL14197017 0.76 CYP2D6 (0.43) MAP3K11NTRK1GSK3BKITCLK1
SCHEMBL1772835 0.73 ALDH1A1 (0.43) MAP3K11DYRK1ADYRK1BBRAF
SCHEMBL24005850 0.73 PRMT5 (0.42) MAP3K11NTRK1GSK3BKITCLK1
SCHEMBL25971496 0.73 BRD4 (0.47) MAP3K11NTRK1GSK3BKITCLK1
SCHEMBL1773002 0.72 KIT (0.49) MAP3K11NTRK1KITDYRK1APIK3CA
SCHEMBL10212537 0.72 PRMT5 (0.45) MAP3K11NTRK1GSK3BKITCLK1
SCHEMBL1774189 0.72 NTRK1 (0.38) MAP3K11NTRK1GSK3BKITCLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338452-B2 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-25 US disclosed
US-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Bio Pharma Inc. (US) 2011-05-12 US disclosed
EP-2265608-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111278-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2009-09-11 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-20110110889-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAP3K11 8/4885NTRK1 633/4885GSK3B 94/4885

“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.