SCHEMBL1632467

SCHEMBL1632467

CC(C)N1CCC(Oc2cc3nc(Nc4ccc(N5CCOCC5)cc4)ncc3cc2Br)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.49
CDK4 P11802 3/20 0.48
CDK2 P24941 3/20 0.48
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
CCND1 P24385 2/20 0.48
CCNE1 P24864 2/20 0.48
MAPK10 P53779 1/20 0.46
LRRK2 Q5S007 2/20 0.46
AURKA O14965 1/20 0.45
JAK2 O60674 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
TNK2 Q07912 1/20 0.44
BRD4 O60885 1/20 0.44
ULK1 O75385 1/20 0.43
KCNH2 Q12809 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
SCHEMBL1634794 0.87 CDK4 (0.51) IGF1RCDK4CDK2CDK1CCNB1
SCHEMBL1633838 0.85 MAPK10 (0.51) IGF1RCDK4CDK2CDK1CCNB1
SCHEMBL1633408 0.84 MAPK10 (0.47) IGF1RCDK4CDK2CDK1CCNB1
SCHEMBL1633896 0.83 TBK1 (0.48) IGF1RCDK4CDK2CDK1CCNB1
SCHEMBL1634550 0.83 CDK1 (0.59) IGF1RCDK4CDK2CDK1CCNB1
SCHEMBL13498320 0.82 CDK4 (0.53) IGF1RCDK4CDK2CDK1CCNB1
SCHEMBL1632073 0.82 CDK4 (0.57) CDK4CDK2CDK1CCNB1CCND1
SCHEMBL13498319 0.81 CDK4 (0.52) IGF1RCDK4CDK2CDK1CCNB1
SCHEMBL1633105 0.81 CDK4 (0.52) IGF1RCDK4CDK2CDK1CCNB1
SCHEMBL1633275 0.79 CDK4 (0.50) IGF1RCDK4CDK2CDK1CCNB1

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 IGF1R 629/4885CDK4 24/4885CDK2 29/4885

“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.