SCHEMBL1864258

SCHEMBL1864258

C#Cc1ccc2nc(Nc3cccc(N4CCOCC4)c3)ncc2c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.52
CDK2 P24941 5/20 0.52
CDK9 P50750 5/20 0.52
CCNE1 P24864 1/20 0.52
WEE1 P30291 2/20 0.51
RIPK2 O43353 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NTRK1 P04629 1/20 0.50
CCNA2 P20248 4/20 0.49
PKMYT1 Q99640 2/20 0.48
CAMK2D Q13557 1/20 0.48
PLK1 P53350 1/20 0.47
BRD4 O60885 1/20 0.47
MAP3K7 O43318 1/20 0.46
MAPK1 P28482 1/20 0.46
MAP2K1 Q02750 1/20 0.46
PLK4 O00444 1/20 0.45

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
SCHEMBL1868688 0.89 WEE1 (0.58) CDK2CDK9CCNE1WEE1CCNA2
SCHEMBL12671669 0.89 CDK2 (0.52) CCNT1CDK2CDK9CCNE1WEE1
SCHEMBL1870735 0.81 CCNT1 (0.55) CCNT1CDK2CDK9CCNE1RIPK2
SCHEMBL1571431 0.77 SYK (0.56) CDK2CCNE1WEE1MAPK1PLK4
SCHEMBL1571190 0.77 LRRK2 (0.58) CCNT1CDK2CDK9CCNE1WEE1
SCHEMBL29371274 0.76 CDK2 (0.62) CCNT1CDK2CDK9CCNE1RIPK2
SCHEMBL3503881 0.74 CDK1 (0.55) CDK2CCNE1WEE1PKMYT1BRD4
SCHEMBL12671427 0.74 WEE1 (0.58) CDK2CDK9CCNE1WEE1CCNA2
SCHEMBL13169888 0.73 PLK4 (0.66) CCNT1CDK2CDK9CCNE1RIPK2
SCHEMBL13336328 0.73 CDK2 (0.42) CDK2WEE1CCNA2BRD4CCNA1

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
CN-101652352-A Quinazolines for PDK1 inhibition NOVARTIS VACCINES & DIAGNOSTIC 2010-02-17 CN claimed
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 CCNT1 1008/4885CDK2 39/4885CDK9 65/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 CCNT1 406/4885CDK2 11/4885CDK9 32/4885

“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.