SCHEMBL2954006

SCHEMBL2954006

O=C(c1ccco1)N1CCN(c2cc(N3CCOCC3)nc(-n3c(CO)nc4ccccc43)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 7/20 0.49
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 3/20 0.46
RAB9A P51151 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RCE1 Q9Y256 1/20 0.46
CHEK1 O14757 1/20 0.46
ATR Q13535 1/20 0.46
PDCD1 Q15116 1/20 0.46
ATRIP Q8WXE1 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
SCHEMBL2956597 0.92 PIK3CB (0.56) PIK3CBALDH1A1KDM4EHSD17B10MAPT
SCHEMBL2956186 0.86 PIK3CB (0.70) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL2954762 0.85 PIK3CB (0.60) PIK3CBCHEK1ATRPDCD1ATRIP
SCHEMBL3696106 0.85 PIK3CB (0.65) PIK3CBCHEK1ATRPDCD1ATRIP
SCHEMBL2954585 0.84 PIK3CB (0.53) PIK3CBCHEK1ATRPDCD1ATRIP
SCHEMBL2947721 0.83 PIK3CB (0.52) PIK3CBCHEK1ATRPDCD1ATRIP
SCHEMBL2948267 0.83 PIK3CB (0.52) PIK3CBCHEK1ATRPDCD1ATRIP
SCHEMBL2947551 0.82 PIK3CB (0.51) PIK3CBGAACHEK1ATRPDCD1
SCHEMBL5148290 0.81 PDCD1 (0.44) PIK3CBCHEK1ATRPDCD1ATRIP
SCHEMBL2955577 0.80 PIK3CB (0.53) PIK3CBCHEK1ATRPDCD1ATRIP

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-8338414-B2 Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-12-25 US claimed
CN-101137382-B Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient ZENYAKU KOGYO KK 2012-11-21 CN 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
CN-101137382-A Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient ZENYAKU KOGYO KK (JP) 2008-03-05 CN 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
CN-101137382-B Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient ZENYAKU KOGYO KK 2012-11-21 CN 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
CN-101137382-A Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient ZENYAKU KOGYO KK (JP) 2008-03-05 CN 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 2354/4885ALDH1A1 2283/4885KDM4E 2164/4885
US-20080113987-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT IL2, NFATC1, CD47 PIK3CB 2354/4885ALDH1A1 2283/4885KDM4E 2164/4885

“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.