SCHEMBL1571389

SCHEMBL1571389

C#Cc1ccc2nc(Nc3cc(OCC(=O)NC4CCN(C)CC4)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 4/20 0.45
▸ MAP4K3 Q8IVH8 1/20 0.45
▸ WNT1 P04628 5/20 0.41
▸ GSK3B P49841 5/20 0.41
▸ DYRK1A Q13627 5/20 0.41
▸ LMNA P02545 1/20 0.38
▸ TTK P33981 1/20 0.37
▸ IGF1R P08069 2/20 0.37
▸ RET P07949 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ TYRO3 Q06418 1/20 0.36
▸ AXL P30530 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36

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
SCHEMBL1571452 0.86 MAP4K1 (0.39) MAP4K1MAP4K3GSK3BTTKAXL
SCHEMBL13336194 0.82 MAP4K1 (0.41) MAP4K1MAP4K3TTKCHEK1CCNA2
SCHEMBL1570287 0.82 MAP4K1 (0.47) MAP4K1MAP4K3WNT1GSK3BDYRK1A
SCHEMBL1570284 0.82 MAP4K1 (0.47) MAP4K1MAP4K3WNT1GSK3BDYRK1A
SCHEMBL1571076 0.81 PDK2 (0.41) MAP4K1MAP4K3
SCHEMBL1571499 0.81 CSNK1A1 (0.42) MAP4K1MAP4K3TTKCHEK1CCNA2
SCHEMBL1571456 0.80 MAP4K1 (0.40) MAP4K1MAP4K3TTKCHEK1CCNA2
SCHEMBL1572062 0.80 BRAF (0.53) MAP4K1MAP4K3RETAXL
SCHEMBL1571733 0.79 BRAF (0.39) MAP4K1MAP4K3
SCHEMBL1571735 0.79 BRAF (0.39) MAP4K1MAP4K3

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 14 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
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
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 — — 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 (2 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 MAP4K1 49/4885MAP4K3 43/4885WNT1 1914/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 MAP4K1 112/4885MAP4K3 103/4885WNT1 759/4885

“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