SCHEMBL1634274

SCHEMBL1634274

Clc1ccc(OC2CCNCC2)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.51
CCND1 P24385 5/20 0.51
CDK1 P06493 4/20 0.51
CCNB1 P14635 4/20 0.51
CCNE1 P24864 4/20 0.51
CDK2 P24941 4/20 0.51
JAK2 O60674 4/20 0.50
TBK1 Q9UHD2 3/20 0.50
LRRK2 Q5S007 3/20 0.50
SYK P43405 2/20 0.47
TNK2 Q07912 2/20 0.47
CDK6 Q00534 1/20 0.47
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
WEE1 P30291 1/20 0.45
EGFR P00533 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
SCHEMBL1633570 0.91 CDK2 (0.50) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL1633182 0.91 JAK2 (0.54) CCNE1CDK2JAK2TBK1SYK
SCHEMBL1633410 0.91 SYK (0.52) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL1633643 0.89 CDK4 (0.51) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL13498236 0.89 CDK4 (0.51) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL1632734 0.88 IGF1R (0.46) CCNE1CDK2JAK2AURKAAURKB
SCHEMBL1633931 0.88 CDK4 (0.52) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL1633600 0.87 CDK4 (0.49) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL1632952 0.87 LRRK2 (0.54) JAK2LRRK2
SCHEMBL1634409 0.84 JAK2 (0.65) CDK4CCND1CDK1CCNB1CCNE1

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 CDK4 24/4885CCND1 618/4885CDK1 83/4885

“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.