SCHEMBL1633262

SCHEMBL1633262

NS(=O)(=O)c1ccc(Nc2ncc3cccc(Oc4ccnc(F)c4)c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.49
DKK1 O94907 1/20 0.48
GSK3B P49841 1/20 0.48
TGFBR1 P36897 2/20 0.47
NTRK1 P04629 1/20 0.44
SYK P43405 1/20 0.44
CCNT1 O60563 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
KDR P35968 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 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
SCHEMBL1633962 0.86 IKBKB (0.51) IKBKBDKK1GSK3BNTRK1CCNT1
SCHEMBL1634182 0.84 CA1 (0.60) IKBKBDKK1GSK3BCCNT1CDK1
SCHEMBL1633814 0.84 EGFR (0.55) IKBKBDKK1GSK3BTGFBR1CDK1
SCHEMBL1632888 0.82 IKBKB (0.50) IKBKBDKK1GSK3BTGFBR1CCNT1
SCHEMBL1633446 0.82 IKBKB (0.56) IKBKBCA1CA2CA9CA12
SCHEMBL1633413 0.82 CA1 (0.47) IKBKBDKK1GSK3BNTRK1SYK
SCHEMBL1632432 0.81 CYP1A2 (0.48) IKBKBDKK1GSK3BCCNT1CDK1
SCHEMBL1631949 0.81 DKK1 (0.50) IKBKBDKK1GSK3BNTRK1SYK
SCHEMBL1634190 0.79 IKBKB (0.53) IKBKBDKK1GSK3BNTRK1SYK
SCHEMBL1633821 0.79 STK4 (0.52) IKBKBCCNT1CDK1CCNB1CDK7

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 IKBKB 980/4885DKK1 1228/4885GSK3B 453/4885

“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.