SCHEMBL1633567

SCHEMBL1633567

COc1cc2nc(Nc3ccc(C(=O)NC(C)C)cc3)ncc2cc1Br

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.54
AURKA O14965 1/20 0.51
STK17A Q9UEE5 3/20 0.48
MYLK4 Q86YV6 2/20 0.47
NEK3 P51956 1/20 0.47
LIMK1 P53667 1/20 0.47
NEK5 Q6P3R8 1/20 0.47
LRRK2 Q5S007 2/20 0.47
CHEK1 O14757 1/20 0.45
NTRK2 Q16620 1/20 0.45
RAF1 P04049 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL1633534 0.88 AURKA (0.56) BRAFAURKASTK17AMYLK4NEK3
SCHEMBL1864706 0.85 BRAF (0.49) BRAFAURKASTK17AMYLK4NEK3
SCHEMBL3319061 0.83 STK17A (0.55) BRAFAURKASTK17AMYLK4NEK3
SCHEMBL14146531 0.79 STK17A (0.56) BRAFAURKASTK17AMYLK4NEK3
SCHEMBL12671670 0.78 STK17A (0.55) BRAFAURKASTK17AMYLK4NEK3
SCHEMBL1571344 0.78 IKBKB (0.54) BRAF
SCHEMBL13362845 0.78 STK17A (0.55) BRAFAURKASTK17AMYLK4NEK3
SCHEMBL1866700 0.78 LRRK2 (0.48) BRAFAURKASTK17AMYLK4NEK3
SCHEMBL13251933 0.77 BRAF (0.44) BRAFCHEK1NTRK2
SCHEMBL1864478 0.76 STK17A (0.53) BRAFAURKASTK17AMYLK4NEK3

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-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 BRAF 334/4885AURKA 576/4885STK17A 86/4885

“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.