SCHEMBL1774189

SCHEMBL1774189

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.38
GSK3B P49841 1/20 0.37
KIT P10721 8/20 0.37
MAP3K11 Q16584 2/20 0.36
DYRK1A Q13627 2/20 0.35
CLK1 P49759 1/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
PIK3CA P42336 3/20 0.35
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 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
SCHEMBL1772292 0.83 PRMT5 (0.45) NTRK1GSK3BKITPRMT5WDR77
SCHEMBL19669099 0.81 CYP2C19 (0.37) KIT
SCHEMBL21017779 0.81 DYRK1A (0.34) GSK3BMAP3K11DYRK1ACLK1DYRK2
SCHEMBL24197700 0.79 GSK3A (0.37) GSK3BKITMAP3K11DYRK1ACLK1
SCHEMBL26775127 0.79 DYRK1A (0.40) MAP3K11DYRK1ACLK1DYRK2DYRK1B
SCHEMBL18858487 0.79 AURKA (0.50) NTRK1GSK3BDYRK1ADYRK1B
SCHEMBL18352451 0.77 MAP3K12 (0.35) DYRK1ACLK1
SCHEMBL25111074 0.77 POLB (0.37) DYRK1ACLK1PRMT5WDR77
SCHEMBL25139536 0.77 AXL (0.33) DYRK1ACLK1PIK3CAPRMT5WDR77
SCHEMBL10269012 0.77 MET (0.43) NTRK1GSK3BKITMAP3K11DYRK1A

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 NTRK1 633/4885GSK3B 94/4885KIT 977/4885

“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.