SCHEMBL1572062

SCHEMBL1572062

C#Cc1ccc2nc(Nc3cc(OCCN4CCCC4)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.53
▸ SRC P12931 12/20 0.42
▸ FGFR1 P11362 2/20 0.41
▸ MAP4K3 Q8IVH8 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.41
▸ AXL P30530 1/20 0.41
▸ YES1 P07947 4/20 0.40
▸ KDR P35968 4/20 0.40
▸ EPHB4 P54760 4/20 0.40
▸ PDGFRB P09619 4/20 0.39
▸ EGFR P00533 2/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ ERBB4 Q15303 1/20 0.39
▸ RET P07949 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ JAK3 P52333 1/20 0.39

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
SCHEMBL13336194 0.90 MAP4K1 (0.41) BRAFFGFR1MAP4K3MAP4K1KDR
SCHEMBL1571160 0.90 BRAF (0.51) BRAFSRCFGFR1MAP4K3MAP4K1
SCHEMBL1571456 0.89 MAP4K1 (0.40) BRAFFGFR1MAP4K3MAP4K1KDR
SCHEMBL1571949 0.88 GSK3B (0.42) BRAFFGFR1MAP4K3MAP4K1KDR
SCHEMBL13363267 0.87 BRAF (0.54) BRAFSRCFGFR1MAP4K3MAP4K1
SCHEMBL13336034 0.86 MAP4K1 (0.42) BRAFMAP4K3MAP4K1KDREGFR
SCHEMBL13336031 0.85 MAP4K1 (0.42) BRAFMAP4K3MAP4K1KDREGFR
SCHEMBL1571076 0.85 PDK2 (0.41) BRAFFGFR1MAP4K3MAP4K1KDR
SCHEMBL1572288 0.85 BRAF (0.51) BRAFSRCFGFR1AXLYES1
SCHEMBL1571452 0.84 MAP4K1 (0.39) BRAFFGFR1MAP4K3MAP4K1AXL

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 BRAF 316/4885SRC 1114/4885FGFR1 794/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 BRAF 208/4885SRC 1021/4885FGFR1 236/4885

“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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