SCHEMBL1787026

SCHEMBL1787026

CNc1nccc(CO[Si](C)(C)C(C)(C)C)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.32
AKT3 Q9Y243 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
BACE1 P56817 1/20 0.31
KIT P10721 1/20 0.31
BRAF P15056 1/20 0.31
PDE6D O43924 1/20 0.31
DYRK1A Q13627 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
SYK P43405 1/20 0.30
MAPK13 O15264 1/20 0.30
RAF1 P04049 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL12499912 0.78 RXRA (0.35) AKT3PIK3C3PDE6DDYRK1ASYK
SCHEMBL16061682 0.78 CA12 (0.34) IRAK4CA12CA1CA2CA9
SCHEMBL22262857 0.78 IRAK4 (0.33) IRAK4
SCHEMBL1785770 0.78 NUDT1 (0.46) IRAK4AURKA
SCHEMBL25220021 0.75 SORD (0.38) IRAK4BACE1
SCHEMBL31052283 0.75 IRAK4 (0.32) IRAK4
SCHEMBL31052362 0.75 SORD (0.38) IRAK4BACE1
SCHEMBL29180498 0.75 FFAR4 (0.40) IRAK4DYRK1A
SCHEMBL25219609 0.75 IRAK4 (0.32) IRAK4
SCHEMBL30740287 0.75 FFAR4 (0.40) IRAK4DYRK1A

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-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US 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-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group AGTR1, AGTR2, ARRB1 IRAK4 3720/4885AKT3 1786/4885PIK3C3 3057/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 IRAK4 3435/4885AKT3 2233/4885PIK3C3 3563/4885

“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.