SCHEMBL1863994

SCHEMBL1863994

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.47
AURKB Q96GD4 3/20 0.47
JAK2 O60674 2/20 0.47
NEK2 P51955 1/20 0.47
BRAF P15056 7/20 0.44
SYK P43405 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44
JAK3 P52333 3/20 0.43
RAF1 P04049 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
CDK7 P50613 1/20 0.42
CDK9 P50750 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
SCHEMBL1864307 0.88 MAPK10 (0.47) AURKAAURKBJAK2BRAFSYK
SCHEMBL1871204 0.87 NEK2 (0.51) AURKANEK2BRAFSYKCSNK2A1
SCHEMBL12671573 0.85 HDAC3 (0.39) AURKAAURKBJAK2NEK2BRAF
SCHEMBL13362701 0.83 BRAF (0.53) JAK2BRAFJAK3RAF1
SCHEMBL1867468 0.83 STK17A (0.53) AURKABRAFRAF1
SCHEMBL1865052 0.81 BRAF (0.50) AURKAAURKBJAK2BRAFSYK
SCHEMBL1571737 0.81 CA2 (0.52) AURKAAURKBNEK2CCNT1CDK1
SCHEMBL1868898 0.81 BRAF (0.45) AURKAAURKBJAK2BRAFSYK
SCHEMBL1867006 0.80 LRRK2 (0.56) JAK2SYKMAPK10JAK3CCNT1
SCHEMBL3503249 0.79 MAP3K5 (0.57) AURKAAURKBNEK2BRAF

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 AURKA 588/4885AURKB 461/4885JAK2 1361/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 AURKA 845/4885AURKB 402/4885JAK2 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.