SCHEMBL2954585

SCHEMBL2954585

CCC(=O)N1CCN(c2cc(N3CCOCC3)nc(-n3c(CO)nc4ccccc43)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 16/20 0.53
PIK3CD O00329 12/20 0.51
PIK3CA P42336 8/20 0.51
PIK3CG P48736 6/20 0.51
CHEK1 O14757 1/20 0.50
ATR Q13535 1/20 0.50
PDCD1 Q15116 1/20 0.50
ATRIP Q8WXE1 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
PIK3R1 P27986 1/20 0.48
GBA1 P04062 1/20 0.46

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
SCHEMBL2947737 0.91 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2947551 0.91 PIK3CB (0.51) PIK3CBPIK3CDPIK3CAPIK3CGCHEK1
SCHEMBL2954762 0.90 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CGCHEK1
SCHEMBL3696106 0.88 PIK3CB (0.65) PIK3CBPIK3CDPIK3CAPIK3CGCHEK1
SCHEMBL2948267 0.88 PIK3CB (0.52) PIK3CBPIK3CDPIK3CAPIK3CGCHEK1
SCHEMBL2947721 0.88 PIK3CB (0.52) PIK3CBPIK3CDPIK3CAPIK3CGCHEK1
SCHEMBL2951928 0.86 PIK3CB (0.74) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2955577 0.85 PIK3CB (0.53) PIK3CBPIK3CDPIK3CAPIK3CGCHEK1
SCHEMBL2954006 0.84 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3CGCHEK1
SCHEMBL2955446 0.82 PIK3CB (0.58) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338414-B2 Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-12-25 US claimed
EP-1864665-B1 IMMUNOSUPPRESSIVE AGENT COMPRISING A HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2012-05-16 EP claimed
US-20100267700-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2010-10-21 US claimed
US-20080113987-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2008-05-15 US claimed
EP-1864665-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-12-12 EP claimed
US-8338414-B2 Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-12-25 US disclosed
EP-1864665-B1 IMMUNOSUPPRESSIVE AGENT COMPRISING A HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2012-05-16 EP disclosed
US-20100267700-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2010-10-21 US disclosed
US-7750001-B2 Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2010-07-06 US disclosed
US-20080113987-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2008-05-15 US disclosed
EP-1864665-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-12-12 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-20100267700-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT IL2, NFATC1, CD47 PIK3CB 2354/4885PIK3CD 1584/4885PIK3CA 2655/4885
US-20080113987-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT IL2, NFATC1, CD47 PIK3CB 2354/4885PIK3CD 1584/4885PIK3CA 2655/4885

“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.