SCHEMBL1571733

SCHEMBL1571733

C#Cc1ccc2nc(Nc3cc(OCC(C)NC(C)=O)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 6/20 0.39
▸ ACACB O00763 6/20 0.38
▸ DDR2 Q16832 3/20 0.38
▸ EGFR P00533 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ ERBB4 Q15303 1/20 0.36
▸ MAP4K3 Q8IVH8 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ MTNR1A P48039 3/20 0.36
▸ MTNR1B P49286 3/20 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
SCHEMBL1571735 1.00 BRAF (0.39) BRAFACACBDDR2EGFRERBB2
SCHEMBL1572761 0.91 FGFR1 (0.36) BRAFACACBDDR2EGFRERBB2
SCHEMBL1572760 0.91 FGFR1 (0.36) BRAFACACBDDR2EGFRERBB2
SCHEMBL1571076 0.86 PDK2 (0.41) BRAFDDR2EGFRERBB2ERBB4
SCHEMBL1571415 0.86 MAP4K1 (0.38) BRAFEGFRERBB2ERBB4MAP4K3
SCHEMBL1573464 0.86 MAP4K1 (0.38) BRAFEGFRERBB2ERBB4MAP4K3
SCHEMBL1571452 0.86 MAP4K1 (0.39) BRAFDDR2EGFRERBB2ERBB4
SCHEMBL1571784 0.85 MAP4K1 (0.38) ACACBEGFRERBB2ERBB4MAP4K3
SCHEMBL1571783 0.85 MAP4K1 (0.38) ACACBEGFRERBB2ERBB4MAP4K3
SCHEMBL13336194 0.85 MAP4K1 (0.41) BRAFEGFRERBB2ERBB4MAP4K3

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 7 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
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 316/4885ACACB 620/4885DDR2 1418/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 BRAF 208/4885ACACB 307/4885DDR2 1558/4885

“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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