SCHEMBL1634995

SCHEMBL1634995

CC(C)Oc1cccc2cnc(Nc3ccc(NC(=O)CN(C)C)cc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.52
CCNE1 P24864 5/20 0.52
CDK9 P50750 3/20 0.52
CCNT1 O60563 2/20 0.52
CCNA2 P20248 1/20 0.44
CCNA1 P78396 1/20 0.44
PTK2 Q05397 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
MPI P34949 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PARP1 P09874 3/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
MAPK10 P53779 1/20 0.39
ABL1 P00519 1/20 0.39
PDGFRB P09619 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
SCHEMBL1633421 0.85 MAP3K5 (0.49) CDK2CCNE1MAPTMEN1KMT2A
SCHEMBL1634323 0.80 JAK2 (0.47) CDK2CCNE1PTK2JAK2JAK1
SCHEMBL1634286 0.79 AURKA (0.53) CDK2CCNE1PTK2JAK2JAK1
SCHEMBL1633381 0.79 PTK2 (0.54) CDK2PTK2JAK2JAK1TYK2
SCHEMBL1633395 0.78 CDK2 (0.49) CDK2CCNE1CDK9CCNT1CCNA2
SCHEMBL1632354 0.77 PKM (0.43) CDK2CCNE1CDK9CCNT1JAK2
SCHEMBL1632814 0.77 CDK2 (0.52) CDK2CCNE1CDK9CCNT1CCNA2
SCHEMBL1631342 0.76 CDK2 (0.45) CDK2CCNE1CDK9CCNT1CCNA2
SCHEMBL1632891 0.74 JAK2 (0.48) CDK2CCNE1CDK9CCNA2MEN1
SCHEMBL1634669 0.73 BRD4 (0.49) CDK2CCNE1CDK9CCNT1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 CDK2 29/4885CCNE1 637/4885CDK9 67/4885

“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.