SCHEMBL12671534

SCHEMBL12671534

C[Si](C)(C)C#Cc1ccc2nc(Nc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)ncc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCND2 P30279 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ FGFR1 P11362 4/20 0.39
▸ EGFR P00533 2/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ RIPK2 O43353 3/20 0.38
▸ ACVR1 Q04771 3/20 0.38
▸ NOD2 Q9HC29 3/20 0.38
▸ USP2 O75604 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NAMPT P43490 4/20 0.38
▸ SRC P12931 4/20 0.37
▸ PDGFRB P09619 3/20 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
SCHEMBL12671535 0.87 CDK4 (0.41) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL13252021 0.84 CDK4 (0.42) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL13252101 0.81 CDK4 (0.43) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL12671536 0.81 CDK4 (0.43) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL13225903 0.80 BRAF (0.41) BRAF
SCHEMBL13225905 0.75 BRAF (0.41) BRAF
SCHEMBL12671174 0.75 BRAF (0.45) BRAF
SCHEMBL13225923 0.67 MAP4K1 (0.41) —
SCHEMBL13225922 0.67 MAP4K1 (0.39) FGFR4
SCHEMBL1570948 0.66 BRAF (0.50) PDGFRBPDGFRAABL1BRAFMEN1

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
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 CDK4 26/4885CCND1 641/4885CCND2 798/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 CDK4 6/4885CCND1 333/4885CCND2 374/4885

“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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