SCHEMBL1571452

SCHEMBL1571452

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ ERBB4 Q15303 1/20 0.39
▸ MAP4K3 Q8IVH8 1/20 0.39
▸ PDK2 Q15119 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DGAT1 O75907 1/20 0.37
▸ FGFR3 P22607 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ DDR2 Q16832 4/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ TTK P33981 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
SCHEMBL4423231 0.90 MAP4K1 (0.38) MAP4K1MAP4K3PDK2AURKAGSK3A
SCHEMBL13336194 0.89 MAP4K1 (0.41) MAP4K1EGFRERBB2ERBB4MAP4K3
SCHEMBL1571076 0.87 PDK2 (0.41) MAP4K1EGFRERBB2ERBB4MAP4K3
SCHEMBL1571456 0.86 MAP4K1 (0.40) MAP4K1EGFRERBB2ERBB4MAP4K3
SCHEMBL1571389 0.86 MAP4K1 (0.45) MAP4K1MAP4K3GSK3BCCNA2CDK2
SCHEMBL1571733 0.86 BRAF (0.39) MAP4K1EGFRERBB2ERBB4MAP4K3
SCHEMBL1571735 0.86 BRAF (0.39) MAP4K1EGFRERBB2ERBB4MAP4K3
SCHEMBL3504727 0.85 BRAF (0.37) MAP4K1EGFRERBB2ERBB4MAP4K3
SCHEMBL1571454 0.85 BRAF (0.46) DDR2BRAF
SCHEMBL1572062 0.84 BRAF (0.53) MAP4K1EGFRERBB2ERBB4MAP4K3

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 12 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
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 49/4885EGFR 1733/4885ERBB2 1242/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 MAP4K1 112/4885EGFR 1053/4885ERBB2 1020/4885

“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.

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