SCHEMBL1571686

SCHEMBL1571686

COC(=O)COc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cnn(C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.40
▸ MAP4K3 Q8IVH8 1/20 0.40
▸ BRAF P15056 4/20 0.40
▸ SYK P43405 3/20 0.39
▸ FGFR3 P22607 3/20 0.39
▸ KDR P35968 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ TTK P33981 1/20 0.39
▸ GSK3B P49841 2/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ DDR2 Q16832 2/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ MERTK Q12866 1/20 0.37
▸ FGFR1 P11362 2/20 0.37
▸ FGFR2 P21802 2/20 0.37

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
SCHEMBL1571377 0.91 BRAF (0.43) MAP4K1MAP4K3BRAFSYKFGFR3
SCHEMBL14146275 0.90 MAP4K1 (0.40) MAP4K1MAP4K3SYKFGFR3KDR
SCHEMBL13336170 0.88 MAP4K1 (0.42) MAP4K1MAP4K3BRAFFGFR3KDR
SCHEMBL1571444 0.85 SYK (0.38) MAP4K1MAP4K3SYKFGFR3KDR
SCHEMBL1571511 0.84 ACACB (0.40) MAP4K1MAP4K3BRAFDDR2
SCHEMBL13336277 0.83 RIPK2 (0.42) MAP4K1MAP4K3SYKFGFR3KDR
SCHEMBL1571589 0.82 GSK3B (0.42) MAP4K1MAP4K3BRAFGSK3BDDR2
SCHEMBL12671430 0.81 MAP4K1 (0.46) MAP4K1MAP4K3BRAFFGFR3KDR
SCHEMBL13225919 0.81 MAP4K1 (0.42) MAP4K1MAP4K3BRAFGSK3BDDR2
SCHEMBL1571237 0.81 GSK3B (0.41) MAP4K1MAP4K3BRAFTTKGSK3B

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 43/4885BRAF 316/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 MAP4K1 112/4885MAP4K3 103/4885BRAF 208/4885

“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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