SCHEMBL1124028

SCHEMBL1124028

Nc1c(N2CCOCC2)nc(N2CCC(Cc3ccccc3)CC2)nc1N1CCOCC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.79
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 6/20 0.52
HPGD P15428 5/20 0.52
GAA P10253 4/20 0.52
GLA P06280 2/20 0.52
HSD17B10 Q99714 3/20 0.49
HTT P42858 4/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 1/20 0.47
CREBBP Q92793 1/20 0.47
LMNA P02545 5/20 0.46
MAPT P10636 5/20 0.46
PDE5A O76074 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
STAT3 P40763 1/20 0.45
MAPK1 P28482 1/20 0.44
RECQL P46063 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
SCHEMBL1124120 1.00 TSHR (0.79) TSHRALDH1A1KDM4EHPGDGAA
SCHEMBL1124049 0.89 TSHR (0.66) TSHRALDH1A1KDM4EHPGDGAA
SCHEMBL12562847 0.83 TSHR (0.70) TSHRALDH1A1KDM4EHPGDGAA
SCHEMBL1124034 0.82 TSHR (0.82) TSHRALDH1A1KDM4EHPGDGAA
SCHEMBL1124068 0.82 TSHR (0.82) TSHRALDH1A1KDM4EHPGDGAA
SCHEMBL1123920 0.80 TSHR (0.66) TSHRALDH1A1KDM4EHPGDGAA
SCHEMBL1124078 0.80 GAA (0.55) TSHRALDH1A1KDM4EHPGDGAA
SCHEMBL1123739 0.79 ALDH1A1 (0.58) TSHRALDH1A1KDM4EHPGDGAA
SCHEMBL1123953 0.79 ALDH1A1 (0.58) TSHRALDH1A1KDM4EHPGDGAA
SCHEMBL1123895 0.76 TSHR (0.48) TSHRALDH1A1KDM4EHPGDGAA

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 TSHR 4591/4885ALDH1A1 213/4885KDM4E 4265/4885

“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.