Sugi Predict

Sugi Predict / Compounds / SCHEMBL1571784

SCHEMBL1571784

SCHEMBL1571784

C#Cc1ccc2nc(Nc3cc(OC[C@@H](C)NS(=O)(=O)C4CC4)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 4/20 0.38
▸ MAP4K3 Q8IVH8 1/20 0.38
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ ERBB4 Q15303 1/20 0.35
▸ TTK P33981 9/20 0.34
▸ CCNA2 P20248 3/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ ACACB O00763 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ FLT4 P35916 1/20 0.33

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
SCHEMBL1571783 1.00 MAP4K1 (0.38) MAP4K1MAP4K3JAK2JAK1TYK2
SCHEMBL1571733 0.85 BRAF (0.39) MAP4K1MAP4K3EGFRERBB2ERBB4
SCHEMBL1571735 0.85 BRAF (0.39) MAP4K1MAP4K3EGFRERBB2ERBB4
SCHEMBL4555439 0.85 TTK (0.36) EGFRERBB2ERBB4TTKCCNA2
SCHEMBL1573464 0.83 MAP4K1 (0.38) MAP4K1MAP4K3EGFRERBB2ERBB4
SCHEMBL1571415 0.83 MAP4K1 (0.38) MAP4K1MAP4K3EGFRERBB2ERBB4
SCHEMBL1572761 0.82 FGFR1 (0.36) MAP4K1MAP4K3EGFRERBB2ERBB4
SCHEMBL1572760 0.82 FGFR1 (0.36) MAP4K1MAP4K3EGFRERBB2ERBB4
SCHEMBL13336194 0.81 MAP4K1 (0.41) MAP4K1MAP4K3JAK1TYK2FLT3
SCHEMBL1571452 0.80 MAP4K1 (0.39) MAP4K1MAP4K3EGFRERBB2ERBB4

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-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

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 43/4885JAK2 1361/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 MAP4K1 112/4885MAP4K3 103/4885JAK2 1056/4885

“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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