SCHEMBL3512252

SCHEMBL3512252

COc1ccc(-c2ccc3nc(C)c(C(C)=O)n3n2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.59
MAPT P10636 1/20 0.59
BRD4 O60885 1/20 0.57
FYN P06241 14/20 0.56
PIK3CA P42336 2/20 0.54
ATR Q13535 1/20 0.54
PIK3CD O00329 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL3512161 0.83 BRD4 (0.49) GLAMAPTBRD4FYNPIK3CA
SCHEMBL13595838 0.81 PIK3CA (0.67) MAPTBRD4FYNPIK3CAATR
SCHEMBL27782952 0.81 BRD4 (0.54) BRD4FYNPIK3CAATRPIK3CD
SCHEMBL3514270 0.80 BRD4 (0.62) MAPTBRD4FYNPIK3CAATR
SCHEMBL532033 0.80 BRD4 (0.62) MAPTBRD4FYNPIK3CAATR
SCHEMBL4056538 0.80 PIK3CA (0.67) MAPTBRD4FYNPIK3CAATR
SCHEMBL3511742 0.78 BRD4 (0.60) MAPTBRD4FYNPIK3CAATR
SCHEMBL4060836 0.77 FYN (0.60) BRD4FYNPIK3CAATRPIK3CD
SCHEMBL3512158 0.76 BRD4 (0.49) BRD4FYNPIK3CAATRPIK3CD
SCHEMBL4054305 0.76 PIK3CA (0.61) MAPTBRD4FYNPIK3CAATR

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 disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB GLA 3781/4885MAPT 4503/4885BRD4 1030/4885

“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.