SCHEMBL1631926

SCHEMBL1631926

NS(=O)(=O)c1ccc(Nc2ncc3ccc(-c4ccc(N5CCCC5)nc4)cc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
SMG1 Q96Q15 3/20 0.46
CHRNA7 P36544 1/20 0.46
JAK2 O60674 1/20 0.44
CA4 P22748 1/20 0.44
CDK1 P06493 5/20 0.44
CDK2 P24941 5/20 0.44
MTOR P42345 2/20 0.44
MAPK10 P53779 1/20 0.43
CCNT1 O60563 4/20 0.43
CCNE1 P24864 4/20 0.43
CDK9 P50750 4/20 0.43
CDK5R1 Q15078 4/20 0.43
CDK5 Q00535 3/20 0.43
CCNB2 O95067 2/20 0.43
CCNE2 O96020 2/20 0.43
CCNB1 P14635 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
SCHEMBL1631324 0.92 MAP4K1 (0.59) MAP4K1SMG1CDK1CDK2MTOR
SCHEMBL1632820 0.92 SMG1 (0.58) MAP4K1CA1CA2CA9SMG1
SCHEMBL1631045 0.89 SMG1 (0.59) MAP4K1CA1CA2CA9SMG1
SCHEMBL1634389 0.82 IKBKB (0.49) CA1CA2CA9CA4CDK1
SCHEMBL1632659 0.82 CA1 (0.47) CA1CA2CA9SMG1CHRNA7
SCHEMBL1633314 0.82 MAPK10 (0.49) CA1CA2CA9SMG1CHRNA7
SCHEMBL1631337 0.81 CA1 (0.48) CA1CA2CA9CA4CDK1
SCHEMBL1633026 0.81 SMG1 (0.59) MAP4K1SMG1JAK2CDK1CDK2
SCHEMBL1633017 0.81 SMG1 (0.72) MAP4K1CA1CA2CA9SMG1
SCHEMBL1633466 0.81 CA1 (0.48) MAP4K1CA1CA2CA9CDK1

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 MAP4K1 48/4885CA1 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.