SCHEMBL1864307

SCHEMBL1864307

N#Cc1ccc2nc(Nc3ccc(C(N)=O)cc3)ncc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.47
MAPK9 P45984 1/20 0.47
AURKA O14965 3/20 0.47
JAK2 O60674 2/20 0.47
AURKB Q96GD4 2/20 0.47
VNN1 O95497 3/20 0.45
SYK P43405 2/20 0.44
BRAF P15056 5/20 0.44
MAPK8 P45983 2/20 0.44
JAK3 P52333 2/20 0.43
RAF1 P04049 1/20 0.42
RPS27 P42677 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CCND3 P30281 1/20 0.42

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
SCHEMBL1863994 0.88 AURKA (0.47) MAPK10AURKAJAK2AURKBSYK
SCHEMBL1864478 0.83 STK17A (0.53) AURKABRAFRAF1
SCHEMBL1865052 0.81 BRAF (0.50) MAPK10AURKAJAK2AURKBSYK
SCHEMBL1866447 0.79 BRAF (0.59) SYKBRAFRAF1
SCHEMBL1865407 0.76 SYK (0.53) AURKAJAK2AURKBSYKCCNT1
SCHEMBL1871204 0.76 NEK2 (0.51) AURKASYKBRAF
SCHEMBL1868318 0.74 CHEK2 (0.51) MAPK10SYKBRAFMAPK8RAF1
SCHEMBL12671573 0.74 HDAC3 (0.39) AURKAJAK2AURKBSYKBRAF
SCHEMBL14020940 0.74 MAPK8 (0.72) MAPK10JAK2MAPK8JAK3
SCHEMBL3503353 0.74 JAK2 (0.63) MAPK10AURKAJAK2SYKMAPK8

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 MAPK10 338/4885MAPK9 185/4885AURKA 588/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 MAPK10 202/4885MAPK9 232/4885AURKA 845/4885

“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.