SCHEMBL5218031

SCHEMBL5218031

CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCOCC2)n1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 17/20 0.62
PIK3CD O00329 11/20 0.53
PIK3CA P42336 10/20 0.53
PIK3R1 P27986 5/20 0.49
PIK3CG P48736 5/20 0.49
PIK3C2B O00750 1/20 0.49
MTOR P42345 1/20 0.49

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
SCHEMBL5217135 0.82 PIK3CB (0.52) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL5217140 0.82 PIK3CB (0.52) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL373386 0.79 PIK3CB (0.73) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL2954834 0.78 PIK3CB (0.83) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL374936 0.78 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL5213704 0.75 PIK3CB (0.66) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL3694970 0.73 PIK3CB (0.89) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL373117 0.73 PIK3CB (0.73) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL373187 0.72 PIK3CB (0.87) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL13678717 0.72 PIK3CB (0.82) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307077-B2 Heterocyclic compound and antitumor agent containing the same as effective ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-12-11 US disclosed
EP-1389617-B1 HETEROCYCLIC COMPOUND AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2007-01-03 EP disclosed
US-20060247232-A1 Heterocyclic compound and antitumor agent containing the same as effective ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-11-02 US disclosed
US-7071189-B2 Heterocyclic compound and antitumor agent containing the same as active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-07-04 US disclosed
US-20040116421-A1 Heterocyclic compound and antitumor agent containing the same as active ingredient OHARA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 US disclosed
EP-1389617-A1 HETEROCYCLIC COMPOUND AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2004-02-18 EP 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-20060247232-A1 Heterocyclic compound and antitumor agent containing the same as effective ingredient CBR3, HCCS, CBR1 PIK3CB 3376/4885PIK3CD 3539/4885PIK3CA 2412/4885

“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.