SCHEMBL9949151

SCHEMBL9949151

Cc1cc(Br)cnc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA9 Q16790 2/20 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
SCHEMBL9948685 0.78 AAK1 (0.33) AAK1CA12CA1CA9
SCHEMBL9948908 0.77 AAK1 (0.34) AAK1
SCHEMBL323430 0.75 AAK1 (0.38) AAK1S1PR1S1PR3SMN1; SMN2HTT
SCHEMBL1577309 0.73 AAK1 (0.32) AAK1S1PR1S1PR3
SCHEMBL1716656 0.73 CA12 (0.33) KMT2ACA12CA1CA9
SCHEMBL12145022 0.72 AAK1 (0.52) AAK1S1PR1S1PR3
SCHEMBL30012981 0.72 AAK1 (0.38) AAK1S1PR1S1PR3SMN1; SMN2
SCHEMBL27149274 0.72 AAK1 (0.38) AAK1S1PR1S1PR3SMN1; SMN2
SCHEMBL1404066 0.72 AAK1 (0.42) AAK1S1PR1S1PR3SMN1; SMN2HTT
SCHEMBL1180451 0.70 AAK1 (0.41) AAK1S1PR1S1PR3SMN1; SMN2HTT

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-20120165346-A1 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-20120165346-A1 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
WO-2012087236-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 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 (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-20120165346-A1 Compounds and their use as BACE inhibitors BACE1, BACE2, PSEN1 AAK1 1462/4885S1PR1 1448/4885S1PR3 2303/4885

“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.