SCHEMBL1124078

SCHEMBL1124078

Nc1c(N2CCOCC2)nc(N2CCN(Cc3ccccc3)CC2)nc1N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.55
CASP1 P29466 1/20 0.52
CASP5 P51878 1/20 0.52
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 4/20 0.51
HPGD P15428 3/20 0.51
GLA P06280 2/20 0.51
LMNA P02545 2/20 0.50
DRD4 P21917 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
BRS3 P32247 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
CREBBP Q92793 1/20 0.49
TSHR P16473 1/20 0.49
PIK3CA P42336 2/20 0.48
HSD17B10 Q99714 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47

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
SCHEMBL1123839 0.89 ALDH1A1 (0.48) GAACASP1CASP5ALDH1A1KDM4E
SCHEMBL1124173 0.87 CASP1 (0.52) GAACASP1CASP5ALDH1A1KDM4E
SCHEMBL1123931 0.87 CASP1 (0.52) GAACASP1CASP5ALDH1A1KDM4E
SCHEMBL1123953 0.84 ALDH1A1 (0.58) GAAALDH1A1KDM4EHPGDGLA
SCHEMBL1123739 0.84 ALDH1A1 (0.58) GAAALDH1A1KDM4EHPGDGLA
SCHEMBL1123706 0.82 TSHR (0.52) GAACASP1CASP5ALDH1A1KDM4E
SCHEMBL1123752 0.82 CASP1 (0.78) GAACASP1CASP5DRD4HTT
SCHEMBL1124120 0.80 TSHR (0.79) GAAALDH1A1KDM4EHPGDGLA
SCHEMBL1124028 0.80 TSHR (0.79) GAAALDH1A1KDM4EHPGDGLA
SCHEMBL11104917 0.78 ALDH1A1 (0.48) GAACASP1CASP5ALDH1A1KDM4E

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 11 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
WO-2009123221-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF 全薬工業株式会社 (JP) 2009-10-08 WO 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 GAA 1118/4885CASP1 3/4885CASP5 32/4885

“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.