SCHEMBL2885848

SCHEMBL2885848

C[Si](C)(C)c1cn(-c2ccccc2F)nn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.55
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
RXRA P19793 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
GSK3B P49841 2/20 0.40
FLT3 P36888 1/20 0.40
HSP90AA1 P07900 1/20 0.39
ADORA1 P30542 1/20 0.38
GRM1 Q13255 3/20 0.38
GRM5 P41594 2/20 0.38
KCNN4 O15554 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ADORA3 P0DMS8 1/20 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
SCHEMBL2688702 0.79 NOTUM (0.58) NOTUMPTGS2PTGS1RXRAGRIN1
SCHEMBL19732304 0.78 NOTUM (0.54) NOTUMPTGS2PTGS1GSK3BHSP90AA1
SCHEMBL20282221 0.76 NOTUM (0.55) NOTUMPTGS2PTGS1HSP90AA1ADORA1
SCHEMBL2889395 0.75 NOTUM (0.58) NOTUMPTGS2PTGS1RXRAGRIN1
SCHEMBL14302898 0.75 NOTUM (0.71) NOTUMPTGS2PTGS1RXRAGRIN1
SCHEMBL13145592 0.75 NOTUM (0.54) NOTUMPTGS2PTGS1RXRAGRIN1
SCHEMBL2886167 0.74 P2RX7 (0.52) NOTUMPTGS2PTGS1FLT3CA12
SCHEMBL20279911 0.73 NOTUM (0.52) NOTUMPTGS2PTGS1RXRAGRIN1
SCHEMBL16827738 0.72 P2RX7 (0.59) NOTUMPTGS2PTGS1RXRAGRIN1
SCHEMBL20263291 0.72 NOTUM (0.55) NOTUMPTGS2PTGS1GSK3BHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP 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 (1 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-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B NOTUM 3935/4885PTGS2 344/4885PTGS1 112/4885

“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.