SCHEMBL1123695

SCHEMBL1123695

c1ccc2c(c1)CCCN2c1nc(N2CCOCC2)cc(N2CCOCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.60
PIK3CA P42336 4/20 0.60
ATR Q13535 1/20 0.53
ATRIP Q8WXE1 1/20 0.53
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49
PTK2 Q05397 1/20 0.49
HTT P42858 2/20 0.49
TSHR P16473 4/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
USP2 O75604 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ROCK1 Q13464 1/20 0.47
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NUDT1 P36639 1/20 0.45

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
SCHEMBL1123788 0.92 PIK3CA (0.58) AKT1PIK3CAATRATRIPJAK2
SCHEMBL854991 0.86 PIK3CA (0.80) AKT1PIK3CAPIK3CBPIK3CD
SCHEMBL14135360 0.85 PIK3CA (0.67) AKT1PIK3CAATRATRIPJAK2
SCHEMBL1123837 0.83 TSHR (0.53) AKT1PIK3CAATRATRIPJAK2
SCHEMBL855764 0.82 PIK3CA (0.64) AKT1PIK3CAATRATRIPTSHR
SCHEMBL21464414 0.82 AKT1 (0.66) AKT1PIK3CAATRATRIPJAK2
SCHEMBL30826789 0.82 AKT1 (0.66) AKT1PIK3CAATRATRIPJAK2
SCHEMBL15334795 0.79 TSHR (0.52) AKT1PIK3CAATRATRIPJAK2
SCHEMBL30826832 0.79 PIK3CA (0.62) AKT1PIK3CAATRATRIPJAK2
SCHEMBL1123919 0.77 TSHR (0.53) AKT1PIK3CAATRATRIPJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US claimed
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 EP claimed
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US disclosed
EP-2284160-B1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KK (JP) 2013-05-15 EP disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US disclosed
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 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 (1 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-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF CASP3, DPYD, CASP1 AKT1 2521/4885PIK3CA 2922/4885ATR 2250/4885

“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.