SCHEMBL8204697

SCHEMBL8204697

Cc1ccc(S(=O)(=O)Nc2cncc(B3OC(C)(C)C(C)(C)O3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.51
POLB P06746 1/20 0.50
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA9 Q16790 4/20 0.47
ALDH1A1 P00352 4/20 0.45
ALPL P05186 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CA12 O43570 2/20 0.43
NAMPT P43490 1/20 0.43
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
LMNA P02545 2/20 0.41
BRD4 O60885 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL790984 0.89 ALPL (0.48) PIK3CBPOLBCA1CA2CA9
SCHEMBL15648607 0.87 PIK3CB (0.54) PIK3CBCA1CA2CA9ALDH1A1
SCHEMBL1619904 0.82 CA1 (0.52) POLBCA1CA2CA9ALDH1A1
SCHEMBL4909467 0.82 CA1 (0.65) CA1CA2CA9ALDH1A1CA12
SCHEMBL35210090 0.80 CA1 (0.46) PIK3CBCA1CA2CA9ALPL
SCHEMBL1558834 0.80 CA1 (0.46) PIK3CBCA1CA2CA9ALPL
SCHEMBL462147 0.78 PIK3CB (0.55) PIK3CBALPLBRD4
SCHEMBL22447437 0.77 ALPL (0.41) PIK3CBCA1CA2CA9ALPL
SCHEMBL12276426 0.76 CA1 (0.45) CA1CA2CA9ALPLCA12
SCHEMBL15459550 0.76 ALPL (0.51) PIK3CBALPLNAMPTLMNAFFAR4

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-7820665-B2 Imidazopyridazine inhibitors of PI3 kinase for cancer treatment AMGEN INC. (US) 2010-10-26 US disclosed
US-7820665-B2 Imidazopyridazine inhibitors of PI3 kinase for cancer treatment AMGEN INC. (US) 2010-10-26 US disclosed
WO-2009085230-A1 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-07-09 WO disclosed
US-20090163489-A1 Inhibitors of PI3 kinase AMGEN INC. 2009-06-25 US disclosed
US-20090163489-A1 Inhibitors of PI3 kinase AMGEN INC. 2009-06-25 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-20090163489-A1 Inhibitors of PI3 kinase PIK3CA, PIK3CD, PIK3CG PIK3CB 4/4885POLB 2056/4885CA1 2380/4885

“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.