SCHEMBL3516673

SCHEMBL3516673

CN(C(=O)OCc1ccccc1)C1(COc2ccc(-c3ccc4ncc(-c5cnc(N)c(C(F)(F)F)c5)n4n3)cc2)COC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.41
TNF P01375 2/20 0.40
DYRK1A Q13627 3/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
FYN P06241 8/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CAMK2D Q13557 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL3516545 0.87 PIK3CA (0.41) PIK3CATNFDYRK1APIK3CDPIK3CB
SCHEMBL3512890 0.85 PIK3CA (0.42) PIK3CATNFDYRK1APIK3CDPIK3CB
SCHEMBL3516013 0.81 PIK3CA (0.46) PIK3CATNFDYRK1APIK3CDPIK3CB
SCHEMBL3514705 0.81 TNF (0.45) PIK3CATNFDYRK1APIK3CDPIK3CB
SCHEMBL3517871 0.80 PIK3CA (0.47) PIK3CATNFDYRK1APIK3CDPIK3CB
SCHEMBL3514332 0.80 TNF (0.48) PIK3CATNFDYRK1APIK3CDPIK3CB
SCHEMBL3514694 0.79 PIK3CA (0.47) PIK3CATNFDYRK1APIK3CDPIK3CB
SCHEMBL3513457 0.79 PIK3CA (0.47) PIK3CATNFDYRK1APIK3CDPIK3CB
SCHEMBL3512456 0.78 PIK3CA (0.51) PIK3CATNFDYRK1APIK3CDPIK3CB
SCHEMBL12986347 0.77 TNF (0.43) PIK3CATNFDYRK1APIK3CDPIK3CB

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A PIK3CA 10/4885TNF 1981/4885DYRK1A 2632/4885

“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.