SCHEMBL3567196

SCHEMBL3567196

CCOc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCO[C@@H](C)[C@H]2C)n1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 18/20 0.68
PIK3CA P42336 13/20 0.57
PIK3CD O00329 12/20 0.57
PIK3R1 P27986 11/20 0.57
PIK3CG P48736 1/20 0.54

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
SCHEMBL3567200 1.00 PIK3CB (0.68) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL3567201 1.00 PIK3CB (0.68) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2950959 0.91 PIK3CB (0.80) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2950961 0.91 PIK3CB (0.80) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2950958 0.91 PIK3CB (0.80) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL3569964 0.90 PIK3CB (0.83) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL3557867 0.86 PIK3CB (0.77) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL3557864 0.86 PIK3CB (0.77) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL3557865 0.86 PIK3CB (0.77) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL373137 0.82 PIK3CB (0.76) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1741714-B1 HETEROCYCLIC COMPOUND AND ANTI-MALIGNANT-TUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2013-01-09 EP disclosed
US-7855199-B2 antitumor agents such as 2-(2-difluoromethyl-4-methoxybenzimidazol-1 -yl)-4-(cis-2,6-dimethylmorpholino)-6-morpholinopyrimidine, used for inhibiting the growth of a human colon cancer cell, a human lung cancer cell, a human breast cancer cell or a human prostate cancer cell ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2010-12-21 US disclosed
US-20080287431-A1 Heterocyclic Compound and Anti-Malignant-Tumor Agent Containing the Same as Active Ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2008-11-20 US disclosed
EP-1741714-A1 HETEROCYCLIC COMPOUND AND ANTI-MALIGNANT-TUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-01-10 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-20080287431-A1 Heterocyclic Compound and Anti-Malignant-Tumor Agent Containing the Same as Active Ingredient TP53, RB1, VHL PIK3CB 1564/4885PIK3CA 1466/4885PIK3CD 1850/4885

“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.