SCHEMBL1633381

SCHEMBL1633381

CNC(=O)c1ccc(Nc2ncc3cccc(OC(C)C)c3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 12/20 0.54
JAK2 O60674 2/20 0.48
TYK2 P29597 2/20 0.48
JAK3 P52333 2/20 0.48
NTRK1 P04629 1/20 0.48
KDR P35968 1/20 0.48
PTK2B Q14289 1/20 0.48
NTRK3 Q16288 1/20 0.48
NTRK2 Q16620 1/20 0.48
CDK2 P24941 3/20 0.46
KCNH2 Q12809 1/20 0.46
HPGDS O60760 1/20 0.44
SYK P43405 1/20 0.44
JAK1 P23458 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL1634286 0.91 AURKA (0.53) PTK2JAK2TYK2JAK3CDK2
SCHEMBL1634323 0.88 JAK2 (0.47) PTK2JAK2TYK2JAK3NTRK1
SCHEMBL1633421 0.84 MAP3K5 (0.49) JAK2TYK2JAK3PTK2BCDK2
SCHEMBL1631342 0.81 CDK2 (0.45) PTK2JAK2TYK2JAK3KDR
SCHEMBL1633395 0.81 CDK2 (0.49) JAK2TYK2JAK3KDRCDK2
SCHEMBL1633525 0.80 JAK2 (0.56) PTK2JAK2TYK2JAK3CDK2
SCHEMBL1632354 0.80 PKM (0.43) JAK2TYK2JAK3KDRCDK2
SCHEMBL1632814 0.80 CDK2 (0.52) JAK2TYK2JAK3KDRCDK2
SCHEMBL1634995 0.79 CDK2 (0.52) PTK2JAK2TYK2JAK3CDK2
SCHEMBL31172993 0.78 MAPK10 (0.45) PTK2KDR

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 11 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
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 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 (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 PTK2 560/4885JAK2 1352/4885TYK2 1796/4885

“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.