SCHEMBL1123882

SCHEMBL1123882

Cc1ccccc1N1CCN(c2nc(N3CCOCC3)cc(N3CCOCC3)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
GBA1 P04062 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
HRH4 Q9H3N8 1/20 0.57
KDM4E B2RXH2 2/20 0.53
AKR1C3 P42330 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 2/20 0.51
PIK3CB P42338 3/20 0.51
HSD17B10 Q99714 1/20 0.49
PIK3CA P42336 2/20 0.48
SLC6A5 Q9Y345 1/20 0.47
LMNA P02545 1/20 0.47
NCF1 P14598 1/20 0.47
ADRB1 P08588 1/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CG P48736 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
SCHEMBL1123711 1.00 KMT2A (0.60) KMT2AGBA1NPSR1HRH4KDM4E
SCHEMBL1123741 0.95 KMT2A (0.55) KMT2AGBA1NPSR1HRH4KDM4E
SCHEMBL1124234 0.93 KMT2A (0.52) KMT2AGBA1NPSR1HRH4KDM4E
SCHEMBL1123954 0.89 KMT2A (0.57) KMT2AGBA1NPSR1HRH4KDM4E
SCHEMBL1123748 0.84 KMT2A (0.54) KMT2AGBA1NPSR1HRH4KDM4E
SCHEMBL1123911 0.83 PIK3CB (0.54) KMT2AGBA1NPSR1HRH4KDM4E
SCHEMBL1123978 0.83 PIK3CB (0.54) KMT2AGBA1NPSR1HRH4KDM4E
SCHEMBL1123579 0.83 USP2 (0.63) KMT2AKDM4EAKR1C3ALDH1A1GAA
SCHEMBL1450530 0.82 AKR1C3 (0.68) KMT2AAKR1C3ALDH1A1HPGDSMN1; SMN2
SCHEMBL1124147 0.81 HSD17B10 (0.53) GBA1KDM4EAKR1C3ALDH1A1GAA

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 4422/4885GBA1 360/4885NPSR1 2137/4885

“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.