SCHEMBL1571499

SCHEMBL1571499

CNC(=O)COc1cc(Nc2ncc3cc(C#N)ccc3n2)cc(-c2cnn(C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1A1 P48729 1/20 0.42
▸ CSNK1D P48730 1/20 0.42
▸ CSNK1G2 P78368 1/20 0.42
▸ PDK2 Q15119 1/20 0.40
▸ CHEK1 O14757 4/20 0.39
▸ MAP4K3 Q8IVH8 1/20 0.38
▸ MAP4K1 Q92918 1/20 0.38
▸ SYK P43405 6/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ MET P08581 2/20 0.38
▸ CHEK2 O96017 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ BLK P51451 1/20 0.37
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37

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
SCHEMBL1571377 0.88 BRAF (0.43) PDK2MAP4K3MAP4K1SYKMET
SCHEMBL13362660 0.88 SYK (0.42) CSNK1G2PDK2MAP4K3MAP4K1SYK
SCHEMBL1571452 0.84 MAP4K1 (0.39) PDK2MAP4K3MAP4K1FGFR1FGFR2
SCHEMBL4423231 0.82 MAP4K1 (0.38) PDK2MAP4K3MAP4K1FGFR1FGFR2
SCHEMBL1571444 0.81 SYK (0.38) MAP4K3MAP4K1SYKFGFR1FGFR2
SCHEMBL1571389 0.81 MAP4K1 (0.45) CHEK1MAP4K3MAP4K1METCCNA2
SCHEMBL13336194 0.79 MAP4K1 (0.41) CHEK1MAP4K3MAP4K1FLT3FGFR1
SCHEMBL13336092 0.78 CHEK1 (0.54) CSNK1A1CSNK1DCSNK1G2CHEK1MAP4K3
SCHEMBL14146275 0.78 MAP4K1 (0.40) MAP4K3MAP4K1SYKFGFR1FGFR2
SCHEMBL1571686 0.78 MAP4K1 (0.40) MAP4K3MAP4K1SYKFGFR1FGFR2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 — — WO disclosed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 — — WO disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 — — EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
US-7709501-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2010-05-04 — — US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — WO disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — WO disclosed
EP-2125755-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis Ag (CH) 2009-12-02 — — EP disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 — — WO disclosed
US-20070149513-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2007-06-28 — — 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 (3 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 CSNK1A1 477/4885CSNK1D 698/4885CSNK1G2 520/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 CSNK1A1 790/4885CSNK1D 1308/4885CSNK1G2 760/4885
US-20070149513-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 CSNK1A1 3741/4885CSNK1D 2912/4885CSNK1G2 2121/4885

“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