SCHEMBL1633475

SCHEMBL1633475

CC(C)Nc1ccc(-c2cccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc23)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.53
CA2 P00918 7/20 0.51
CA1 P00915 5/20 0.51
CA9 Q16790 5/20 0.51
CDK1 P06493 4/20 0.48
CDK2 P24941 4/20 0.48
KDR P35968 4/20 0.48
CDK4 P11802 2/20 0.48
CDK7 P50613 2/20 0.48
CDK9 P50750 2/20 0.48
CCNT1 O60563 1/20 0.48
CCND1 P24385 1/20 0.48
CCNH P51946 1/20 0.48
CCNB1 P14635 1/20 0.47
CCNE1 P24864 1/20 0.47
IKBKB O14920 4/20 0.47
CA4 P22748 2/20 0.46
JUN P05412 1/20 0.45
PIK3CD O00329 1/20 0.43
AURKA O14965 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
SCHEMBL1632926 0.87 CA2 (0.49) MAPK10CA2CA1CA9CDK1
SCHEMBL1633245 0.86 MAPK10 (0.46) MAPK10CA2CA1CA9CDK1
SCHEMBL1632792 0.85 MAPK10 (0.47) MAPK10CA2CA1CA9CDK1
SCHEMBL1631911 0.83 MAPK10 (0.55) MAPK10CA2CA1CA9CDK1
SCHEMBL13498354 0.83 MAPK10 (0.49) MAPK10CA2CA1CA9CDK1
SCHEMBL1634634 0.82 MAPK10 (0.48) MAPK10CA2CA1CA9CDK1
SCHEMBL1634417 0.82 MAPK10 (0.42) MAPK10CA2CA1CA9CDK1
SCHEMBL1633211 0.82 MAPK10 (0.48) MAPK10CA2CA1CA9CDK1
SCHEMBL1633372 0.81 IKBKB (0.53) MAPK10CA2CA1CA9CDK1
SCHEMBL1631112 0.81 IKBKB (0.59) MAPK10CA2CA1CA9CDK1

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 MAPK10 402/4885CA2 3577/4885CA1 4702/4885

“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.