SCHEMBL1632804

SCHEMBL1632804

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.48
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA4 P22748 4/20 0.47
CA9 Q16790 4/20 0.47
CA12 O43570 2/20 0.47
CA6 P23280 2/20 0.47
CA7 P43166 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CDK1 P06493 3/20 0.47
CDK2 P24941 3/20 0.47
CCNT1 O60563 2/20 0.47
CCNB1 P14635 2/20 0.47
CDK9 P50750 2/20 0.47
CCNB2 O95067 1/20 0.47
CCNE2 O96020 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47

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
SCHEMBL12725672 0.91 CA1 (0.48) NTRK1CA1CA2CA4CA9
SCHEMBL1633663 0.90 NTRK1 (0.47) NTRK1CA1CA2CA4CA9
SCHEMBL1634294 0.89 CA2 (0.44) NTRK1CA1CA2CA4CA9
SCHEMBL4794380 0.87 NTRK1 (0.45) NTRK1CA1CA2CA4CA9
SCHEMBL1632130 0.86 SYK (0.47) NTRK1CA1CA2CA4CA9
SCHEMBL4794376 0.85 NTRK1 (0.42) NTRK1CA1CA2CA4CA9
SCHEMBL1632926 0.85 CA2 (0.49) NTRK1CA1CA2CA4CA9
SCHEMBL1632659 0.84 CA1 (0.47) NTRK1CA1CA2CA4CA9
SCHEMBL1632094 0.84 IKBKB (0.47) NTRK1CA1CA2CA4CA9
SCHEMBL1632394 0.82 SMG1 (0.55) CA1CA2CA9CA12CDK1

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 9 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
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-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 NTRK1 1997/4885CA1 4702/4885CA2 3577/4885

“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.