SCHEMBL4535771

SCHEMBL4535771

O=c1[nH]cnc2cc(OC3CCOC3)c(OC3CCOC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
ERBB2 P04626 1/20 0.41
EPHA2 P29317 1/20 0.41
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
IP6K1 Q92551 5/20 0.40
IP6K3 Q96PC2 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
KRAS P01116 1/20 0.39
SOS1 Q07889 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
LRRK2 Q5S007 2/20 0.39
EGFR P00533 1/20 0.38
SYK P43405 2/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL4535757 1.00 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBERBB2EPHA2
SCHEMBL13606771 1.00 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBERBB2EPHA2
SCHEMBL13606776 0.93 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBERBB2EPHA2
SCHEMBL13606773 0.92 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBIP6K1IP6K3
SCHEMBL31352786 0.90 IP6K1 (0.44) PIK3CDPIK3CAPIK3CBERBB2EPHA2
SCHEMBL30524630 0.90 IP6K1 (0.42) PIK3CDPIK3CAPIK3CBERBB2EPHA2
SCHEMBL26113178 0.90 IP6K1 (0.44) PIK3CDPIK3CAPIK3CBERBB2EPHA2
SCHEMBL29849333 0.90 IP6K1 (0.42) PIK3CDPIK3CAPIK3CBERBB2EPHA2
SCHEMBL26113183 0.90 IP6K1 (0.44) PIK3CDPIK3CAPIK3CBERBB2EPHA2
SCHEMBL15922336 0.90 IP6K1 (0.42) PIK3CDPIK3CAPIK3CBERBB2EPHA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306105-A1 Bicyclic heterocycles, medicaments containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 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-20090306105-A1 Bicyclic heterocycles, medicaments containing these compounds, their use and process for preparing them BPHL, CYP11B2, MAP3K1 PIK3CD 769/4885PIK3CA 489/4885PIK3CB 737/4885

“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.