SCHEMBL3563102

SCHEMBL3563102

COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 13/20 1.00
PIK3CA P42336 12/20 1.00
PIK3CD O00329 11/20 0.83
PIK3R1 P27986 10/20 0.83
PIK3CG P48736 1/20 0.80

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
SCHEMBL17004656 0.97 PIK3CB (0.94) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2770694 0.96 PIK3CB (0.92) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL31157034 0.95 PIK3CB (0.90) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL477354 0.95 PIK3CB (0.90) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL17011984 0.95 PIK3CB (0.90) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL477252 0.94 PIK3CB (0.88) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL31157030 0.94 PIK3CB (0.88) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL31157031 0.93 PIK3CA (0.86) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL477268 0.92 PIK3CA (0.85) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL477433 0.92 PIK3CA (0.85) 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 5 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
US-20070244110-A1 Treatment of prostate cancer, melanoma or hepatic cancer ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-10-18 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 (2 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
US-20070244110-A1 Treatment of prostate cancer, melanoma or hepatic cancer KLK3, CYP11B1, CYP11B2 PIK3CB 3425/4885PIK3CA 2494/4885PIK3CD 3893/4885

“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.