SCHEMBL1123909

SCHEMBL1123909

Nc1c(N2CCOCC2)nc(N2CCc3ccccc3C2)nc1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 6/20 0.48
GRIN3B O60391 6/20 0.48
GRIN1 Q05586 6/20 0.48
GRIN2A Q12879 6/20 0.48
GRIN2B Q13224 6/20 0.48
GRIN2C Q14957 6/20 0.48
GRIN3A Q8TCU5 6/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NAPEPLD Q6IQ20 1/20 0.47
TSHR P16473 1/20 0.46
EED O75530 1/20 0.46
CETP P11597 1/20 0.45
POLB P06746 1/20 0.45
CHRM1 P11229 2/20 0.44
ADRA1D P25100 2/20 0.44

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
SCHEMBL1124012 0.86 TSHR (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1124032 0.83 TSHR (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1123836 0.81 NAPEPLD (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4786599 0.80 CETP (0.58) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1123810 0.77 KDM4E (0.51) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1123739 0.77 ALDH1A1 (0.58) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1123953 0.77 ALDH1A1 (0.58) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1123837 0.76 TSHR (0.53) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3682386 0.76 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3676832 0.72 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 7 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
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
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 GRIN2D 1375/4885GRIN3B 1530/4885GRIN1 802/4885

“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.