SCHEMBL2957066

SCHEMBL2957066

C[C@@H]1OCCN(c2cc(N3CCN(C(=O)N(C)C)CC3)nc(-n3c(C(F)F)nc4ccccc43)n2)[C@H]1C

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 19/20 0.56
PIK3CD O00329 18/20 0.52
PIK3CA P42336 13/20 0.52
PIK3CG P48736 9/20 0.52
PIK3R1 P27986 1/20 0.52

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
SCHEMBL2956058 1.00 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2957063 1.00 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2956059 1.00 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2956061 1.00 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2945778 0.91 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2956106 0.91 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2945780 0.91 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2956101 0.91 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2945784 0.91 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL2957746 0.91 PIK3CD (0.61) 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 8 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
US-8338414-B2 Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-12-25 US 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

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.