SCHEMBL373157

SCHEMBL373157

C[C@@H]1OCCN(c2cc(N3CCOCC3)nc(-n3c(NC=O)nc4ccccc43)n2)[C@H]1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 6/20 0.52
ATR Q13535 11/20 0.44
PIK3CA P42336 5/20 0.44
MTOR P42345 3/20 0.44
KCNH2 Q12809 2/20 0.44
PIK3CD O00329 3/20 0.42
PIK3CG P48736 3/20 0.42
PDCD1 Q15116 6/20 0.41
CD274 Q9NZQ7 6/20 0.41
CHEK1 O14757 4/20 0.41
ATRIP Q8WXE1 4/20 0.41
PIK3C2B O00750 1/20 0.40
PIK3R1 P27986 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
SCHEMBL373155 1.00 PIK3CB (0.52) PIK3CBATRPIK3CAMTORKCNH2
SCHEMBL373156 1.00 PIK3CB (0.52) PIK3CBATRPIK3CAMTORKCNH2
SCHEMBL373210 0.90 PIK3CB (0.52) PIK3CBPIK3CAMTORPIK3CDPIK3CG
SCHEMBL373211 0.90 PIK3CB (0.52) PIK3CBPIK3CAMTORPIK3CDPIK3CG
SCHEMBL373212 0.90 PIK3CB (0.52) PIK3CBPIK3CAMTORPIK3CDPIK3CG
SCHEMBL373050 0.87 ATR (0.56) PIK3CBATRPIK3CAMTORKCNH2
SCHEMBL373051 0.87 ATR (0.56) PIK3CBATRPIK3CAMTORKCNH2
SCHEMBL373052 0.87 ATR (0.56) PIK3CBATRPIK3CAMTORKCNH2
SCHEMBL373138 0.84 PIK3CB (0.76) PIK3CBPIK3CAMTORPIK3CDPIK3CG
SCHEMBL373162 0.84 PIK3CB (0.76) PIK3CBPIK3CAMTORPIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071189-B2 Heterocyclic compound and antitumor agent containing the same as active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-07-04 US claimed
EP-2409975-B1 Solid dispersions comprising an amorphous body composed of a heterocyclic anti-tumor compound ZENYAKU KOGYO KK (JP) 2015-05-27 EP disclosed
US-8227463-B2 Amorphous body composed of heterocyclic compound, solid dispersion and pharmaceutical preparation each comprising the same, and process for production of the same ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2012-07-24 US disclosed
EP-2409975-A1 Amorphous body composed of heterocyclic compound, solid dispersion and pharmaceutical preparation each comprising the same, and process for production of the same ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-01-25 EP disclosed
US-20100249063-A1 AMORPHOUS BODY COMPOSED OF HETEROCYCLIC COMPOUND, SOLID DISPERSION AND PHARMACEUTICAL PREPARATION EACH COMPRISING THE SAME, AND PROCESS FOR PRODUCTION OF THE SAME ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2010-09-30 US disclosed
EP-2218718-A1 AMORPHOUS FORM OF HETEROCYCLIC COMPOUND, SOLID DISPERSION AND MEDICINAL PREPARATION EACH COMPRISING THE SAME, AND PROCESS FOR PRODUCTION OF THE SAME ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2010-08-18 EP disclosed
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 (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-20100249063-A1 AMORPHOUS BODY COMPOSED OF HETEROCYCLIC COMPOUND, SOLID DISPERSION AND PHARMACEUTICAL PREPARATION EACH COMPRISING THE SAME, AND PROCESS FOR PRODUCTION OF THE SAME SBDS, ABCG2, SSRP1 PIK3CB 4109/4885ATR 298/4885PIK3CA 3548/4885
US-20060247232-A1 Heterocyclic compound and antitumor agent containing the same as effective ingredient CBR3, HCCS, CBR1 PIK3CB 3376/4885ATR 1827/4885PIK3CA 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.