SCHEMBL3514756

SCHEMBL3514756

Cc1nc2ccc(-c3ccc(OCCCN4CCCC4=O)cc3)nn2c1-c1cnc(N)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.57
PIK3CD O00329 1/20 0.57
PIK3CB P42338 1/20 0.57
PIK3CG P48736 1/20 0.57
CTSS P25774 3/20 0.41
TNF P01375 2/20 0.40
PDK2 Q15119 3/20 0.39
CTSK P43235 1/20 0.38
CLK2 P49760 1/20 0.37
DYRK1A Q13627 1/20 0.37
HASPIN Q8TF76 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL3515901 0.86 TNF (0.46) PIK3CAPIK3CDPIK3CBPIK3CGCTSS
SCHEMBL3515015 0.82 TNF (0.47) PIK3CAPIK3CDPIK3CBPIK3CGCTSS
SCHEMBL3515490 0.80 JAK2 (0.42) TNFPDK2HRH3KCNH2
SCHEMBL3514862 0.79 HRH3 (0.40) PDK2HRH3KCNH2
SCHEMBL3512461 0.78 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL3512134 0.77 PIK3CA (0.62) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL3515193 0.77 CTSS (0.44) PIK3CAPIK3CDPIK3CBPIK3CGCTSS
SCHEMBL3512133 0.74 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL3512132 0.74 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGTNF
SCHEMBL3515177 0.74 PIK3CA (0.71) PIK3CAPIK3CDPIK3CBPIK3CGCTSS

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 4 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
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.