SCHEMBL1571377

SCHEMBL1571377

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 5/20 0.43
▸ PDK2 Q15119 1/20 0.41
▸ MAP4K3 Q8IVH8 1/20 0.40
▸ MAP4K1 Q92918 1/20 0.40
▸ SYK P43405 10/20 0.39
▸ MET P08581 1/20 0.39
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ TTK P33981 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ FGFR3 P22607 1/20 0.38

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
SCHEMBL1571686 0.91 MAP4K1 (0.40) BRAFMAP4K3MAP4K1SYKCCNA2
SCHEMBL13362660 0.90 SYK (0.42) PDK2MAP4K3MAP4K1SYKMET
SCHEMBL1571499 0.88 CSNK1A1 (0.42) PDK2MAP4K3MAP4K1SYKMET
SCHEMBL13336170 0.87 MAP4K1 (0.42) BRAFMAP4K3MAP4K1CCNA2CDK2
SCHEMBL1571511 0.84 ACACB (0.40) BRAFMAP4K3MAP4K1
SCHEMBL13336277 0.82 RIPK2 (0.42) MAP4K3MAP4K1SYKMETFGFR1
SCHEMBL1571589 0.82 GSK3B (0.42) BRAFMAP4K3MAP4K1
SCHEMBL12671430 0.81 MAP4K1 (0.46) BRAFMAP4K3MAP4K1CCNA2CDK2
SCHEMBL13225919 0.81 MAP4K1 (0.42) BRAFMAP4K3MAP4K1MET
SCHEMBL1571237 0.81 GSK3B (0.41) BRAFMAP4K3MAP4K1METTTK

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 5 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

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 316/4885PDK2 2/4885MAP4K3 43/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 BRAF 208/4885PDK2 2/4885MAP4K3 103/4885

“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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