SCHEMBL1633586

SCHEMBL1633586

NS(=O)(=O)c1ccc(Nc2ncc3cccc(CNCc4ccccc4)c3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.51
▸ CA2 P00918 6/20 0.51
▸ NTRK1 P04629 2/20 0.49
▸ PTK2 Q05397 3/20 0.48
▸ PDE5A O76074 1/20 0.48
▸ IKBKB O14920 5/20 0.47
▸ CA9 Q16790 4/20 0.47
▸ CA12 O43570 3/20 0.47
▸ CDK1 P06493 3/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ CCNT1 O60563 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CDK7 P50613 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CCNH P51946 1/20 0.47
▸ AURKA O14965 1/20 0.46
▸ DCLK1 O15075 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ ROCK2 O75116 1/20 0.46

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
SCHEMBL1633587 0.91 NAMPT (0.49) CA1CA2NTRK1PTK2IKBKB
SCHEMBL13498245 0.87 CDK2 (0.48) CA1CA2NTRK1PTK2IKBKB
SCHEMBL1633856 0.82 PTK2 (0.48) CA1CA2NTRK1PTK2PDE5A
SCHEMBL1632328 0.82 CA2 (0.50) CA1CA2NTRK1PTK2IKBKB
SCHEMBL1633321 0.80 CA1 (0.48) CA1CA2NTRK1IKBKBCA9
SCHEMBL1633146 0.79 CA1 (0.49) CA1CA2NTRK1PTK2IKBKB
SCHEMBL1633835 0.79 IKBKB (0.47) CA1CA2NTRK1PTK2IKBKB
SCHEMBL1634500 0.78 SYK (0.49) CA1CA2NTRK1IKBKBCA9
SCHEMBL1632502 0.78 ALDH1A1 (0.46) CA1CA2IKBKBCA9CDK1
SCHEMBL1631112 0.78 IKBKB (0.59) CA1CA2IKBKBCA9CA12

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 3577/4885NTRK1 1997/4885

“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.

Send feedback