SCHEMBL12671537

SCHEMBL12671537

C[Si](C)(C)c1ccc2nc(Nc3ccc(CN)cc3)ncc2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 13/20 0.44
▸ MAP4K1 Q92918 1/20 0.42
▸ PTK2 Q05397 2/20 0.40
▸ FLT3 P36888 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ WEE1 P30291 1/20 0.39
▸ MAP3K5 Q99683 1/20 0.38
▸ RAF1 P04049 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
SCHEMBL13252103 0.84 BRAF (0.46) BRAFMAP4K1PTK2FLT3IGF1R
SCHEMBL13574109 0.81 BRAF (0.48) BRAFRAF1
SCHEMBL13225903 0.80 BRAF (0.41) BRAFMAP4K1PTK2FLT3IGF1R
SCHEMBL13252021 0.78 CDK4 (0.42) BRAFWEE1
SCHEMBL31460972 0.70 F9 (0.46) BRAFPTK2FLT3IGF1R
SCHEMBL12671181 0.69 ALK (0.42) BRAFPTK2FLT3WEE1MAP3K5
SCHEMBL17529301 0.69 BRAF (0.49) BRAFMAP4K1PTK2
SCHEMBL12120858 0.68 BRAF (0.53) BRAFIGF1RWEE1
SCHEMBL27834469 0.68 CDK2 (0.49) PTK2
SCHEMBL12123993 0.68 BRAF (0.47) BRAFIGF1RWEE1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 — — US disclosed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 — — WO 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
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 316/4885MAP4K1 49/4885PTK2 567/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 BRAF 208/4885MAP4K1 112/4885PTK2 444/4885

“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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