SCHEMBL3513729

SCHEMBL3513729

CC(=O)NCCOc1ccc(-c2ccc3ncc(-c4cnc(N)c(C(F)(F)F)c4)n3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.49
TNF P01375 1/20 0.49
PIK3CD O00329 2/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
FYN P06241 10/20 0.44
RIPK1 Q13546 1/20 0.42

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
SCHEMBL3516983 0.97 PIK3CA (0.49) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3512800 0.91 PIK3CA (0.47) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3515914 0.90 PIK3CA (0.47) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL12985818 0.89 TNF (0.47) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3512736 0.89 PIK3CA (0.47) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3513467 0.88 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGFYN
SCHEMBL12986314 0.86 TNF (0.46) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3512838 0.86 TNF (0.52) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3513329 0.86 TNF (0.53) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3516188 0.86 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGFYN

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US claimed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP claimed
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO 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

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 1981/4885PIK3CD 12/4885

“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.