SCHEMBL1571949

SCHEMBL1571949

C#Cc1ccc2nc(Nc3cc(OCCNC(=O)CN4CCCCC4)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.42
▸ DYRK1A Q13627 13/20 0.42
▸ WNT1 P04628 11/20 0.42
▸ BRAF P15056 4/20 0.41
▸ FGFR1 P11362 2/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ MAP4K3 Q8IVH8 1/20 0.36
▸ MAP4K1 Q92918 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
SCHEMBL1571492 0.91 GSK3B (0.41) GSK3BDYRK1AWNT1BRAFFGFR1
SCHEMBL1571076 0.88 PDK2 (0.41) BRAFFGFR1FGFR2FGFR4FGFR3
SCHEMBL1572062 0.88 BRAF (0.53) BRAFFGFR1FGFR2KDRMAP4K3
SCHEMBL1571454 0.86 BRAF (0.46) BRAF
SCHEMBL13336245 0.86 JAK1 (0.43) GSK3BDYRK1AWNT1FGFR1FGFR2
SCHEMBL1570912 0.85 BRAF (0.36) BRAFMAP4K3MAP4K1
SCHEMBL1570909 0.85 BRAF (0.36) BRAFMAP4K3MAP4K1
SCHEMBL13336194 0.84 MAP4K1 (0.41) BRAFFGFR1FGFR2FGFR4FGFR3
SCHEMBL1872111 0.84 BRAF (0.36) BRAFMAP4K3MAP4K1
SCHEMBL1571553 0.84 BRAF (0.36) BRAFMAP4K3MAP4K1

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 10 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-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
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 GSK3B 406/4885DYRK1A 748/4885WNT1 1914/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 GSK3B 340/4885DYRK1A 1286/4885WNT1 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.

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