SCHEMBL1123884

SCHEMBL1123884

Clc1ccc(N2CCN(c3nc(N4CCOCC4)cc(N4CCOCC4)n3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.55
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 2/20 0.54
HRH4 Q9H3N8 1/20 0.54
CETP P11597 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
THRB P10828 1/20 0.50
AKR1C3 P42330 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
S1PR2 O95136 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
PIK3CA P42336 2/20 0.48
PIK3CB P42338 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL1124210 0.86 AKR1C3 (0.58) MAPTKMT2ANPSR1HTTHRH4
SCHEMBL1123583 0.85 KMT2A (0.65) MAPTL3MBTL1KMT2AMEN1NPSR1
SCHEMBL1123904 0.85 KMT2A (0.59) MAPTL3MBTL1KMT2AMEN1NPSR1
SCHEMBL1123990 0.85 KMT2A (0.65) MAPTL3MBTL1KMT2AMEN1NPSR1
SCHEMBL1124097 0.85 MTOR (0.61) MAPTL3MBTL1KMT2AMEN1NPSR1
SCHEMBL1123861 0.85 KMT2A (0.59) MAPTL3MBTL1KMT2AMEN1NPSR1
SCHEMBL1124300 0.84 HTT (0.62) MAPTKMT2ANPSR1HTTHRH4
SCHEMBL1123979 0.84 HTT (0.62) MAPTKMT2ANPSR1HTTHRH4
SCHEMBL1123614 0.84 HTT (0.62) MAPTKMT2ANPSR1HTTHRH4
SCHEMBL9003193 0.83 KMT2A (0.76) MAPTKMT2AMEN1NPSR1HTT

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 9 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 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 MAPT 350/4885L3MBTL1 701/4885KMT2A 4422/4885

“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.