SCHEMBL1634294

SCHEMBL1634294

NS(=O)(=O)c1ccc(Nc2ncc3cc(C(F)(F)F)cc(-c4ccc(F)nc4)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.44
CA1 P00915 5/20 0.44
CA9 Q16790 5/20 0.44
CA4 P22748 4/20 0.44
SYK P43405 1/20 0.44
CDK1 P06493 4/20 0.44
CDK2 P24941 3/20 0.43
CCNT1 O60563 2/20 0.43
CCNB1 P14635 2/20 0.43
CDK9 P50750 2/20 0.43
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
CA12 O43570 3/20 0.43
CA6 P23280 2/20 0.43
CA7 P43166 2/20 0.43
CA13 Q8N1Q1 2/20 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
SCHEMBL4794376 0.91 NTRK1 (0.42) CA2CA1CA9CA4SYK
SCHEMBL1632804 0.89 NTRK1 (0.48) CA2CA1CA9CA4CDK1
SCHEMBL4794380 0.87 NTRK1 (0.45) CA2CA1CA9CA4SYK
SCHEMBL12725672 0.86 CA1 (0.48) CA2CA1CA9CA4CDK1
SCHEMBL12765024 0.86 MAPK10 (0.43) SYKCDK1AURKAGSK3BMAPK10
SCHEMBL1631392 0.82 JAK2 (0.55) CA2CA1CA9CA4CDK1
SCHEMBL1571171 0.81 CDK1 (0.49) CA2CA1CA9CA4SYK
SCHEMBL1633268 0.80 CA1 (0.44) CA2CA1CA9CA4CDK1
SCHEMBL1632094 0.80 IKBKB (0.47) CA2CA1CA9CA4CDK1
SCHEMBL1633663 0.80 NTRK1 (0.47) CA2CA1CA9CA4CDK1

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 8 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 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-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 CA2 3577/4885CA1 4702/4885CA9 4102/4885

“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.