SCHEMBL1870367

SCHEMBL1870367

CC(=O)Nc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cn[nH]c2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 3/20 0.69
BRAF P15056 10/20 0.49
MAP4K1 Q92918 3/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
CLK1 P49759 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
ROCK2 O75116 1/20 0.39
JUN P05412 1/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL13252801 0.88 MAP3K5 (0.69) MAP3K5BRAFMAP4K1ROCK2JUN
SCHEMBL3504879 0.86 MAP3K5 (0.66) MAP3K5BRAFMAP4K1ROCK2JUN
SCHEMBL1866197 0.85 MAP3K5 (0.51) MAP3K5BRAFMAP4K1MEN1CYP1A2
SCHEMBL14146425 0.84 MAP3K5 (0.51) MAP3K5BRAFMAP4K1JUNMAPK10
SCHEMBL1571282 0.83 BRAF (0.55) MAP3K5BRAFMEN1CYP1A2CYP3A4
SCHEMBL1867274 0.82 MAP3K5 (0.55) MAP3K5BRAFMEN1CYP1A2CYP3A4
SCHEMBL1872204 0.82 MAP3K5 (0.60) MAP3K5BRAFMAP4K1ROCK2
SCHEMBL1570946 0.80 BRAF (0.49) MAP3K5BRAFMAP4K1MEN1CYP1A2
SCHEMBL1570944 0.79 MAP3K5 (0.47) MAP3K5BRAFMAP4K1MEN1CYP1A2
SCHEMBL1866931 0.78 MAP3K5 (0.50) MAP3K5BRAFMEN1CYP1A2CYP3A4

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
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

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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 MAP3K5 24/4885BRAF 316/4885MAP4K1 49/4885

“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.