SCHEMBL1124012

SCHEMBL1124012

Fc1c(N2CCOCC2)nc(N2CCc3ccccc3C2)nc1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 4/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
NAPEPLD Q6IQ20 1/20 0.47
EED O75530 1/20 0.46
CETP P11597 1/20 0.45
POLB P06746 2/20 0.45
GRIN2D O15399 4/20 0.42
GRIN3B O60391 4/20 0.42
GRIN1 Q05586 4/20 0.42
GRIN2A Q12879 4/20 0.42
GRIN2B Q13224 4/20 0.42
GRIN2C Q14957 4/20 0.42
GRIN3A Q8TCU5 4/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1124032 0.96 TSHR (0.51) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL1123810 0.92 KDM4E (0.51) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL1123909 0.86 GRIN2D (0.48) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL1123836 0.81 NAPEPLD (0.62) KDM4EALDH1A1HPGDNAPEPLDEED
SCHEMBL4786599 0.80 CETP (0.58) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL1123820 0.77 ALDH1A1 (0.58) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL1123997 0.77 ALDH1A1 (0.58) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL1123941 0.75 ALDH1A1 (0.47) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL1123806 0.75 MAPT (0.63) TSHRKDM4EALDH1A1GLAGAA
SCHEMBL1123747 0.74 ALDH1A1 (0.49) TSHRKDM4EALDH1A1GLAGAA

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 13 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 claimed
EP-2284160-B1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KK (JP) 2013-05-15 EP claimed
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
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 TSHR 4591/4885KDM4E 4265/4885ALDH1A1 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.