SCHEMBL3513244

SCHEMBL3513244

Cc1nc2ccc(-c3ccc(OCC4(NC(=O)OC(C)(C)C)COC4)cc3)nn2c1-c1cnc(N)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.53
PIK3CD O00329 3/20 0.53
PIK3CB P42338 2/20 0.53
PIK3CG P48736 2/20 0.53
TNF P01375 2/20 0.37
PIK3C2B O00750 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CLK2 P49760 1/20 0.34
DYRK1A Q13627 1/20 0.34
HASPIN Q8TF76 1/20 0.34
AAK1 Q2M2I8 4/20 0.34
FFAR4 Q5NUL3 1/20 0.33
MAP3K12 Q12852 2/20 0.33

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
SCHEMBL3514771 0.94 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL14013654 0.91 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL3512765 0.91 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL12989736 0.90 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL3512456 0.90 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL12990063 0.89 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL3512134 0.84 PIK3CA (0.62) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL3516013 0.82 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL3514705 0.81 TNF (0.45) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL14014043 0.78 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGTNF

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 5 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
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
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 PIK3CA 2/4885PIK3CD 4/4885PIK3CB 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.