SCHEMBL1571675

SCHEMBL1571675

Cn1cc(-c2cc(Nc3ncc4cc(C#C[Si](C)(C)C)ccc4n3)cc(OCCNC(=O)CBr)c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 14/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ PDK2 Q15119 2/20 0.35
▸ DDR2 Q16832 1/20 0.35
▸ MAP4K3 Q8IVH8 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34

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
SCHEMBL1571492 0.90 GSK3B (0.41) BRAFMAP4K3MAP4K1FGFR1FGFR3
SCHEMBL1571351 0.89 GSK3B (0.39) BRAFRAF1DDR2MAP4K3MAP4K1
SCHEMBL1572647 0.87 BRAF (0.41) BRAFRAF1PDK2DDR2FGFR1
SCHEMBL4423231 0.86 MAP4K1 (0.38) BRAFPDK2DDR2MAP4K3MAP4K1
SCHEMBL1571762 0.86 MAP4K1 (0.39) BRAFMAP4K3MAP4K1FGFR1FGFR3
SCHEMBL1571444 0.85 SYK (0.38) DDR2MAP4K3MAP4K1FGFR1FGFR3
SCHEMBL1573258 0.84 GSK3B (0.35) BRAFRAF1DDR2
SCHEMBL1573257 0.84 GSK3B (0.35) BRAFRAF1DDR2
SCHEMBL1571160 0.84 BRAF (0.51) BRAFRAF1MAP4K3MAP4K1FGFR1
SCHEMBL1571748 0.83 DDR2 (0.33) BRAFDDR2MAP4K3MAP4K1

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 9 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
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-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
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

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 316/4885RAF1 143/4885PDK2 2/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 BRAF 208/4885RAF1 215/4885PDK2 2/4885

“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