SCHEMBL1633896

SCHEMBL1633896

CC(C)(C)OC(=O)N1CCC(Oc2cc3nc(Nc4ccc(N5CCOCC5)cc4)ncc3cc2Br)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.48
CCND3 P30281 2/20 0.48
CDK4 P11802 2/20 0.48
CCND1 P24385 2/20 0.48
CCND2 P30279 1/20 0.48
SYK P43405 2/20 0.47
EGFR P00533 3/20 0.47
CDK2 P24941 2/20 0.46
CCNK O75909 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK9 P50750 1/20 0.46
CDK6 Q00534 1/20 0.46
LRRK2 Q5S007 3/20 0.44
IGF1R P08069 2/20 0.44
TGFBR1 P36897 1/20 0.43
JAK2 O60674 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNE1 P24864 1/20 0.43
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL1570314 0.88 IKBKB (0.45) CCND3CDK4CCND1CCND2SYK
SCHEMBL3320675 0.87 CHEK2 (0.47) TBK1CCND3CDK4CCND1CCND2
SCHEMBL13336352 0.85 JAK2 (0.44) EGFRLRRK2IGF1RJAK2
SCHEMBL1632467 0.83 IGF1R (0.49) TBK1CDK4CCND1CDK2LRRK2
SCHEMBL1570949 0.83 TBK1 (0.46) TBK1EGFRIGF1RJAK2GPR119
SCHEMBL1572268 0.83 IGF1R (0.43) CCND3CDK4CCND1CCND2EGFR
SCHEMBL3320965 0.83 IGF1R (0.42) TBK1CCND3CDK4CCND1CCND2
SCHEMBL1572127 0.82 EGFR (0.46) EGFRIGF1RTGFBR1JAK2
SCHEMBL1634794 0.82 CDK4 (0.51) TBK1CCND3CDK4CCND1CCND2
SCHEMBL13336350 0.81 IGF1R (0.41) CCND3CDK4CCND1CCND2SYK

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 5 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-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-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 TBK1 539/4885CCND3 816/4885CDK4 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.