SCHEMBL3515926

SCHEMBL3515926

CC(C)(C)OC(=O)NCCCOc1ccc(-c2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)nn23)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.48
PIK3CA P42336 6/20 0.44
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
RIPK1 Q13546 1/20 0.41
FYN P06241 2/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
ATR Q13535 1/20 0.39
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL3515914 0.94 PIK3CA (0.47) TNFPIK3CACA12CA1CA2
SCHEMBL3517227 0.91 TNF (0.46) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3513291 0.89 PIK3CA (0.51) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3514204 0.88 TNF (0.44) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3514153 0.87 PIK3CA (0.53) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3516983 0.87 PIK3CA (0.49) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3516243 0.87 PIK3CA (0.45) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12985887 0.86 TNF (0.48) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3512736 0.85 PIK3CA (0.47) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3513729 0.85 PIK3CA (0.49) TNFPIK3CAPIK3CDPIK3CBPIK3CG

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 3 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 disclosed
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 disclosed
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 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 TNF 1981/4885PIK3CA 10/4885CA12 4808/4885

“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.