SCHEMBL1123719

SCHEMBL1123719

CC(C)(C)OC(=O)N1CCN(c2nc(N3CCN(c4ccccn4)CC3)nc(N3CCOCC3)c2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.56
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PIK3CA P42336 3/20 0.49
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
ACHE P22303 1/20 0.46
MTOR P42345 1/20 0.45
PIK3R1 P27986 1/20 0.44

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
SCHEMBL1124033 0.86 LMNA (0.51) PIK3CAACHEMTORPIK3R1
SCHEMBL1123865 0.85 PIK3CA (0.50) PIK3CAACHEMTORPIK3R1
SCHEMBL1123935 0.84 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10KDM4EMTOR
SCHEMBL1124095 0.84 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10KDM4EMTOR
SCHEMBL1123728 0.83 GPR119 (0.53) GPR119ALDH1A1PIK3CAMTORPIK3R1
SCHEMBL1123753 0.83 GPR119 (0.53) GPR119ALDH1A1PIK3CAMTORPIK3R1
SCHEMBL28790502 0.82 GPR119 (0.49) GPR119ALDH1A1KDM4ECKS1BSKP1
SCHEMBL1459701 0.82 GPR119 (0.79) GPR119ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL30516861 0.82 GPR119 (0.79) GPR119ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL1123780 0.81 LMNA (0.50) ALDH1A1PIK3CAMTORPIK3R1

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-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 US claimed
EP-2284160-B1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KK (JP) 2013-05-15 EP claimed
US-20110152519-A1 PYRIMIDINE DERIVATIVE HAVING CELL PROTECTING EFFECT AND USES THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-06-23 US claimed
CN-102046609-A pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2011-05-04 CN 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
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
CN-102046609-A pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2011-05-04 CN 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 GPR119 655/4885ALDH1A1 213/4885HPGD 90/4885

“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.