SCHEMBL1124059

SCHEMBL1124059

O=CN1CCN(c2cc(N3CCOCC3)nc(N3CCN(c4ccccc4)CC3)n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 1/20 0.50
PIK3CB P42338 2/20 0.49
NPSR1 Q6W5P4 3/20 0.48
HRH4 Q9H3N8 1/20 0.48
MAPT P10636 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
GBA1 P04062 1/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
AKR1C3 P42330 1/20 0.47
PIK3CA P42336 1/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PKM P14618 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
SCHEMBL1123979 0.90 HTT (0.62) HTTKDM4ELMNAKMT2APIK3CB
SCHEMBL1123614 0.90 HTT (0.62) HTTKDM4ELMNAKMT2APIK3CB
SCHEMBL1124300 0.90 HTT (0.62) HTTKDM4ELMNAKMT2APIK3CB
SCHEMBL1124098 0.84 POLB (0.59) HTTKDM4ELMNAKMT2APIK3CB
SCHEMBL1124037 0.81 PIK3CA (0.65) HTTKDM4EKMT2APIK3CBNPSR1
SCHEMBL1124210 0.80 AKR1C3 (0.58) HTTLMNAKMT2APIK3CBNPSR1
SCHEMBL6740206 0.80 LMNA (0.70) HTTKDM4ELMNAPIK3CBNPSR1
SCHEMBL1123822 0.80 PIK3CB (0.50) HTTKDM4ELMNAKMT2APIK3CB
SCHEMBL1123741 0.80 KMT2A (0.55) HTTKDM4ELMNAKMT2APIK3CB
SCHEMBL1123878 0.78 KMT2A (0.52) HTTKDM4ELMNAKMT2APIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102046609-B pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2014-05-14 CN 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
CN-102046609-B pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2014-05-14 CN 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
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
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 HTT 838/4885KDM4E 4265/4885LMNA 1872/4885

“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.