SCHEMBL3513467

SCHEMBL3513467

COc1cc(-c2ccc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3n2)ccc1OCCNC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.56
PIK3CD O00329 1/20 0.56
PIK3CB P42338 1/20 0.56
PIK3CG P48736 1/20 0.56
ATR Q13535 1/20 0.52
FYN P06241 16/20 0.52

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
SCHEMBL3516188 0.98 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGATR
SCHEMBL3513650 0.92 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3CGATR
SCHEMBL3515934 0.92 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGATR
SCHEMBL12985616 0.90 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGATR
SCHEMBL3514639 0.89 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGATR
SCHEMBL3514153 0.89 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGATR
SCHEMBL12985530 0.88 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGATR
SCHEMBL3513731 0.88 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGATR
SCHEMBL3513729 0.88 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL3514734 0.88 PIK3CA (0.62) PIK3CAPIK3CDPIK3CBPIK3CGATR

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US claimed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
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 10/4885PIK3CD 12/4885PIK3CB 15/4885

“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.