SCHEMBL1633540

SCHEMBL1633540

NS(=O)(=O)c1ccc(Nc2ncc3cc(Cl)cc(-c4ccc(NCCN5CCCC5)nc4)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
ABL1 P00519 7/20 0.44
CCNT1 O60563 2/20 0.43
CDK1 P06493 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
CDK9 P50750 2/20 0.43
CDK5R1 Q15078 2/20 0.43
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
CCNB1 P14635 1/20 0.43
CDK5 Q00535 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
CA4 P22748 1/20 0.42
SRC P12931 7/20 0.41
PDGFRB P09619 3/20 0.41
CA12 O43570 1/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL1633573 0.92 CA1 (0.47) CA1CA2CA9ABL1CCNT1
SCHEMBL12764646 0.91 CA1 (0.46) CA1CA2CA9ABL1CCNT1
SCHEMBL1633268 0.89 CA1 (0.44) CA1CA2CA9ABL1CCNT1
SCHEMBL1634288 0.89 CA2 (0.44) CA1CA2CA9ABL1CCNT1
SCHEMBL1633149 0.88 CA1 (0.48) CA1CA2CA9CCNT1CDK1
SCHEMBL1633466 0.84 CA1 (0.48) CA1CA2CA9CCNT1CDK1
SCHEMBL1634792 0.84 MAPK10 (0.43) CA1CA2CA9CCNT1CDK1
SCHEMBL1633492 0.81 CDK2 (0.49) CA1CA2CA9CCNT1CDK1
SCHEMBL1633121 0.81 MAPK10 (0.52) CA1CA2CA9CA12NTRK1
SCHEMBL1633503 0.81 MAPK10 (0.47) ABL1CDK1BRAFKDR

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 CA1 4702/4885CA2 3577/4885CA9 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.