SCHEMBL5211685

SCHEMBL5211685

CC1(C)CN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4cc([N+](=O)[O-])ccc43)n2)CCO1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 17/20 0.53
PIK3CD O00329 13/20 0.53
PIK3CA P42336 12/20 0.53
PIK3CG P48736 10/20 0.53
PIK3R1 P27986 4/20 0.53
PIK3C2B O00750 1/20 0.53
MTOR P42345 1/20 0.53
MAPT P10636 1/20 0.45

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
SCHEMBL5213257 0.93 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL5218167 0.86 PIK3CB (0.57) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL5213704 0.83 PIK3CB (0.66) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL373149 0.83 PIK3CB (0.77) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL373199 0.81 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL373403 0.80 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL5211668 0.79 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL5897638 0.76 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL373687 0.76 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL373171 0.76 PIK3CB (0.79) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1

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.