SCHEMBL3512136

SCHEMBL3512136

COc1ccc(-c2ccc3nc(C)c(-c4ccc(N5CCOCC5)nc4)n3n2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.57
PIK3CA P42336 1/20 0.57
PIK3CB P42338 1/20 0.57
PIK3CG P48736 1/20 0.57
SMPD3 Q9NY59 3/20 0.55
MAP4K1 Q92918 1/20 0.52
ERN1 O75460 1/20 0.48
FYN P06241 2/20 0.47
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
GAK O14976 5/20 0.47
PDE10A Q9Y233 1/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BRD4 O60885 1/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL3513237 0.94 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGSMPD3
SCHEMBL14013987 0.90 PIK3CA (0.47) PIK3CDPIK3CAPIK3CBPIK3CGSMPD3
SCHEMBL3513209 0.89 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGSMPD3
SCHEMBL4062318 0.88 SMPD3 (0.60) PIK3CDPIK3CAPIK3CBPIK3CGSMPD3
SCHEMBL3513076 0.87 NOS1 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGSMPD3
SCHEMBL3513947 0.82 SMPD3 (0.62) PIK3CDPIK3CAPIK3CBPIK3CGSMPD3
SCHEMBL27782941 0.82 PIK3CA (0.53) PIK3CDPIK3CAPIK3CBPIK3CGSMPD3
Tert-Butyl Formate SCHEMBL27782943 0.82 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGSMPD3
SCHEMBL3514744 0.81 PIK3CA (0.66) PIK3CDPIK3CAPIK3CBPIK3CGFYN
SCHEMBL3512458 0.81 PIK3CA (0.69) PIK3CDPIK3CAPIK3CBPIK3CGFYN

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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US claimed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB PIK3CD 4/4885PIK3CA 2/4885PIK3CB 3/4885

“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.