SCHEMBL2945855

SCHEMBL2945855

C[C@@H]1[C@@H](C)OCCN1c1nc(N2CCOCC2)nc(-n2cnc3ccccc32)n1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 8/20 0.72
PDCD1 Q15116 5/20 0.48
CD274 Q9NZQ7 5/20 0.48
ATR Q13535 5/20 0.48
CHEK1 O14757 4/20 0.48
ATRIP Q8WXE1 4/20 0.48
PIK3CD O00329 4/20 0.47
PIK3CA P42336 3/20 0.47
PIK3CG P48736 3/20 0.47
LCK P06239 2/20 0.45
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PIK3C2B O00750 1/20 0.42
PIK3R1 P27986 1/20 0.42
MTOR P42345 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41

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
SCHEMBL2945859 1.00 PIK3CB (0.72) PIK3CBPDCD1CD274ATRCHEK1
SCHEMBL2945857 1.00 PIK3CB (0.72) PIK3CBPDCD1CD274ATRCHEK1
SCHEMBL6625239 1.00 PIK3CB (0.72) PIK3CBPDCD1CD274ATRCHEK1
SCHEMBL6625240 1.00 PIK3CB (0.72) PIK3CBPDCD1CD274ATRCHEK1
SCHEMBL6626388 0.89 PIK3CB (0.58) PIK3CBPDCD1CD274ATRCHEK1
SCHEMBL5213834 0.89 PIK3CB (0.58) PIK3CBPDCD1CD274ATRCHEK1
SCHEMBL6626384 0.89 PIK3CB (0.58) PIK3CBPDCD1CD274ATRCHEK1
SCHEMBL5213821 0.89 PIK3CB (0.58) PIK3CBPDCD1CD274ATRCHEK1
SCHEMBL6625795 0.89 PIK3CB (0.58) PIK3CBPDCD1CD274ATRCHEK1
SCHEMBL6625790 0.89 PIK3CB (0.58) PIK3CBPDCD1CD274ATRCHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864665-B1 IMMUNOSUPPRESSIVE AGENT COMPRISING A HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2012-05-16 EP claimed
US-7750001-B2 Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2010-07-06 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
EP-1020462-B1 HETEROCYCLIC COMPOUNDS AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2004-02-11 EP disclosed
US-6251900-B1 Heterocyclic compounds and antitumor agent containing the same as active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2001-06-26 US disclosed
EP-1020462-A1 HETEROCYCLIC COMPOUNDS AND ANTITUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 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 2354/4885PDCD1 26/4885CD274 98/4885
US-20080113987-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT IL2, NFATC1, CD47 PIK3CB 2354/4885PDCD1 26/4885CD274 98/4885

“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.