SCHEMBL1633106

SCHEMBL1633106

CN1CCC(Oc2ccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.49
MAP4K1 Q92918 12/20 0.48
CAMK2D Q13557 1/20 0.47
STK4 Q13043 1/20 0.47
MAP4K3 Q8IVH8 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CDK2 P24941 4/20 0.45
AURKA O14965 1/20 0.45
CCNE1 P24864 2/20 0.45
CCNA2 P20248 1/20 0.44
CCNA1 P78396 1/20 0.44

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
SCHEMBL1632946 0.90 IKBKB (0.45) IKBKBMAP4K1STK4CA12CA1
SCHEMBL1633319 0.90 JAK3 (0.49) CAMK2DCDK2AURKACCNE1CCNA2
SCHEMBL1632828 0.87 IKBKB (0.48) IKBKBSTK4CA12CA1CA2
SCHEMBL1634287 0.86 IGF1R (0.47) IKBKBMAP4K1CAMK2DMAP4K3CDK2
SCHEMBL1632932 0.83 SYK (0.51) MAP4K1STK4MAP4K3CA12CA1
SCHEMBL1634873 0.82 MAP4K1 (0.44) MAP4K1CAMK2DMAP4K3
SCHEMBL1633471 0.81 CDK2 (0.47) MAP4K1CDK2CCNE1CCNA2CCNA1
SCHEMBL1634267 0.81 CDK4 (0.50) MAP4K1MAP4K3CDK2AURKACCNA2
SCHEMBL1634285 0.81 MAP4K1 (0.55) MAP4K1MAP4K3CDK2AURKACCNE1
SCHEMBL1633099 0.81 IKBKB (0.65) IKBKBSTK4CA12CA1CA2

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 980/4885MAP4K1 48/4885CAMK2D 339/4885

“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.