SCHEMBL14299580

SCHEMBL14299580

CC(C)Oc1cncc(C#C[Si](C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CHRNB2 P17787 6/20 0.38
CHRNA4 P43681 6/20 0.38
PIK3CD O00329 1/20 0.35
PIP5K1C O60331 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNB3 Q05901 2/20 0.33
CHRNA6 Q15825 2/20 0.33
CHRNA7 P36544 1/20 0.33
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL31014818 0.85 GRM5 (0.39) GRM5CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL1476713 0.81 GRM5 (0.58) GRM5CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL22531723 0.78 GRM5 (0.38) GRM5
SCHEMBL12695052 0.77 CYP11B1 (0.51) CYP11B1CYP11B2CHRNB2CHRNA4PIK3CD
SCHEMBL14299582 0.77 GRM5 (0.43) GRM5CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL27599231 0.75 CHRNB2 (0.49) CYP11B1CYP11B2CHRNB2CHRNA4PIK3CD
SCHEMBL12179764 0.74 GRM5 (0.44) GRM5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14299560 0.73 GRM5 (0.43) GRM5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12695010 0.72 CHRNB2 (0.44) CYP11B1CYP11B2CHRNB2CHRNA4PIK3CD
SCHEMBL9956785 0.72 GRM5 (0.50) GRM5

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-8710055-B2 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-29 US disclosed
US-8710055-B2 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-29 US disclosed
US-20120322803-A1 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 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 (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-20120322803-A1 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors CDK2, TNNI3K, CDK1 GRM5 2634/4885CYP11B1 1535/4885CYP11B2 1656/4885

“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.