SCHEMBL3517515

SCHEMBL3517515

NC(=O)C1(Oc2ccc(-c3ccc4ncc(-c5cnc(N)c(C(F)(F)F)c5)n4n3)cc2)COC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.49
▸ PIK3CA P42336 9/20 0.47
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ DYRK1A Q13627 4/20 0.42
▸ FYN P06241 5/20 0.41
▸ ATR Q13535 1/20 0.39

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
SCHEMBL3517871 0.87 PIK3CA (0.47) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3517518 0.86 TNF (0.47) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3514332 0.83 TNF (0.48) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12985658 0.82 TNF (0.43) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3513457 0.82 PIK3CA (0.47) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3514705 0.82 TNF (0.45) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3513325 0.82 TNF (0.54) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3514624 0.81 PIK3CA (0.65) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3516013 0.80 PIK3CA (0.46) TNFPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3514859 0.80 FYN (0.62) 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 10/4885PIK3CD 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.

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