SCHEMBL1633833

SCHEMBL1633833

Oc1ccc(Cl)c2cnc(Nc3ccc(N4CCOCC4)cc3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.60
CDK1 P06493 1/20 0.60
CDK4 P11802 1/20 0.60
CCNB1 P14635 1/20 0.60
CCND1 P24385 1/20 0.60
CCNE1 P24864 1/20 0.60
PKMYT1 Q99640 3/20 0.58
SYK P43405 1/20 0.54
CCNK O75909 1/20 0.53
CCNA2 P20248 1/20 0.53
CCND3 P30281 1/20 0.53
CDK9 P50750 1/20 0.53
CDK6 Q00534 1/20 0.53
WEE1 P30291 1/20 0.53
AURKA O14965 2/20 0.53
AURKB Q96GD4 2/20 0.53
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
EGFR P00533 3/20 0.51

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
SCHEMBL12725748 0.84 LRRK2 (0.64) CDK2CDK1CDK4CCND1CCNE1
SCHEMBL12671427 0.82 WEE1 (0.58) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL23704673 0.82 PKMYT1 (0.69) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL27745780 0.81 CDK4 (0.67) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL1633570 0.79 CDK2 (0.50) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL23704665 0.78 CCNK (0.65) CDK2PKMYT1SYKCCNKCCNA2
SCHEMBL13363307 0.78 CDK4 (0.55) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL13498288 0.78 CDK2 (0.50) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL1634274 0.78 CDK4 (0.51) CDK2CDK1CDK4CCNB1CCND1
SCHEMBL3464981 0.76 AURKA (0.43) CDK2CDK1CDK4CCNB1CCND1

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 CDK2 29/4885CDK1 83/4885CDK4 24/4885

“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.