SCHEMBL1865052

SCHEMBL1865052

NC(=O)c1ccc(Nc2ncc3cc(Br)ccc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.50
AURKA O14965 3/20 0.50
JAK2 O60674 2/20 0.50
AURKB Q96GD4 2/20 0.50
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
IGF1R P08069 1/20 0.47
SYK P43405 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
JAK3 P52333 2/20 0.45
RAF1 P04049 1/20 0.44
CCNT1 O60563 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
SCHEMBL12671574 0.84 HDAC3 (0.44) BRAFAURKAJAK2AURKBSYK
SCHEMBL3319061 0.82 STK17A (0.55) BRAFAURKARAF1
SCHEMBL1866447 0.81 BRAF (0.59) BRAFSYKRAF1
SCHEMBL1864307 0.81 MAPK10 (0.47) BRAFAURKAJAK2AURKBSYK
SCHEMBL1863994 0.81 AURKA (0.47) BRAFAURKAJAK2AURKBSYK
SCHEMBL1570769 0.80 CA2 (0.52) MAPTIGF1RMEN1ALDH1A1GAA
SCHEMBL5495505 0.79 ADRB2 (0.58) BRAFAURKAJAK2AURKBMAPT
SCHEMBL1865407 0.79 SYK (0.53) AURKAJAK2AURKBSYKCCNT1
SCHEMBL13362999 0.78 BRAF (0.52) BRAFRAF1
SCHEMBL1868318 0.77 CHEK2 (0.51) BRAFSYKMAPK8MAPK10RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO claimed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US claimed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 BRAF 316/4885AURKA 588/4885JAK2 1361/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 BRAF 208/4885AURKA 845/4885JAK2 1056/4885

“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.