SCHEMBL1124002

SCHEMBL1124002

c1ccc(N2CCN(c3cc(N4CCOCC4)nc(N4CCOCC4)n3)CC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.60
HSD17B10 Q99714 3/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 3/20 0.58
KMT2A Q03164 1/20 0.55
HTT P42858 1/20 0.54
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PIK3CB P42338 3/20 0.53
NPSR1 Q6W5P4 1/20 0.52
HRH4 Q9H3N8 1/20 0.52
PLD1 Q13393 1/20 0.51
NPC1 O15118 1/20 0.51
HK1 P19367 1/20 0.51
RAB9A P51151 1/20 0.51
HKDC1 Q2TB90 1/20 0.51
PIK3CA P42336 3/20 0.50

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
SCHEMBL1123454 1.00 HPGD (0.60) HPGDHSD17B10ALDH1A1KDM4EKMT2A
SCHEMBL5449021 0.91 HPGD (0.52) HPGDHSD17B10ALDH1A1KDM4EKMT2A
SCHEMBL1123993 0.88 KMT2A (0.61) HPGDHSD17B10ALDH1A1KDM4EKMT2A
SCHEMBL1123988 0.88 KMT2A (0.61) HPGDHSD17B10ALDH1A1KDM4EKMT2A
SCHEMBL3107368 0.86 HSD17B10 (0.57) HPGDHSD17B10ALDH1A1KDM4EHTT
SCHEMBL22326 0.86 ALDH1A1 (0.69) HPGDHSD17B10ALDH1A1KDM4EKMT2A
SCHEMBL29390734 0.86 ALDH1A1 (0.69) HPGDHSD17B10ALDH1A1KDM4EKMT2A
SCHEMBL13761287 0.85 HTT (0.61) HPGDHSD17B10ALDH1A1KDM4EKMT2A
SCHEMBL3599909 0.84 PIK3CA (0.50) HPGDHSD17B10ALDH1A1KDM4EKMT2A
SCHEMBL3882230 0.84 HSD17B10 (0.57) HPGDHSD17B10ALDH1A1KDM4EKMT2A

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 HPGD 90/4885HSD17B10 1975/4885ALDH1A1 213/4885

“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.