SCHEMBL1123748

SCHEMBL1123748

Clc1ccccc1N1CCN(c2nc(N3CCOCC3)cc(N3CCOCC3)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
HTT P42858 1/20 0.52
AKR1C3 P42330 1/20 0.52
PIK3CB P42338 2/20 0.52
NPSR1 Q6W5P4 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
PIK3CA P42336 3/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MAP3K12 Q12852 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GBA1 P04062 1/20 0.47
CASP1 P29466 1/20 0.47
CASP5 P51878 1/20 0.47
CNR2 P34972 1/20 0.47
SLC6A9 P48067 1/20 0.46

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
SCHEMBL1123978 0.84 PIK3CB (0.54) KMT2AHTTPIK3CBNPSR1HRH4
SCHEMBL1123911 0.84 PIK3CB (0.54) KMT2AHTTPIK3CBNPSR1HRH4
SCHEMBL1123711 0.84 KMT2A (0.60) KMT2AHTTAKR1C3PIK3CBNPSR1
SCHEMBL1123882 0.84 KMT2A (0.60) KMT2AHTTAKR1C3PIK3CBNPSR1
SCHEMBL1123979 0.82 HTT (0.62) KMT2AHTTPIK3CBNPSR1HRH4
SCHEMBL1124300 0.82 HTT (0.62) KMT2AHTTPIK3CBNPSR1HRH4
SCHEMBL1123614 0.82 HTT (0.62) KMT2AHTTPIK3CBNPSR1HRH4
SCHEMBL1123579 0.81 USP2 (0.63) KMT2AAKR1C3PIK3CBPIK3CAMAPT
SCHEMBL27967258 0.81 KMT2A (0.49) KMT2AHTTPIK3CBNPSR1HRH4
SCHEMBL4979249 0.81 AKR1C3 (0.67) KMT2AAKR1C3MAPTKDM4ELMNA

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 KMT2A 4422/4885HTT 838/4885AKR1C3 1628/4885

“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.