SCHEMBL1123801

SCHEMBL1123801

CN(C)c1nc(N2CCOCC2)c(F)c(N2CCN(c3ccccn3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
METAP1 P53582 1/20 0.43
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1124095 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL1123935 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL1123951 0.84 TSHR (0.52) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL1123968 0.82 HPGD (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL1123782 0.81 LMNA (0.47) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL1123922 0.80 AKR1C3 (0.46) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL1123734 0.79 HPGD (0.58) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL27804993 0.78 PLD1 (0.39) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL22326 0.77 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL29390734 0.77 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHSD17B10TSHR

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 13 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
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 ALDH1A1 213/4885KDM4E 4265/4885HPGD 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.