SCHEMBL1124049

SCHEMBL1124049

CN(C)c1nc(N2CCC(Cc3ccccc3)CC2)nc(N2CCOCC2)c1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
ALDH1A1 P00352 6/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 3/20 0.45
GAA P10253 3/20 0.45
GLA P06280 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
CREBBP Q92793 1/20 0.41
PKM P14618 1/20 0.40
CHRM3 P20309 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL1124028 0.89 TSHR (0.79) TSHRALDH1A1NPSR1KDM4EGAA
SCHEMBL1124120 0.89 TSHR (0.79) TSHRALDH1A1NPSR1KDM4EGAA
SCHEMBL1123895 0.88 TSHR (0.48) TSHRALDH1A1NPSR1KDM4EGAA
SCHEMBL1123839 0.83 ALDH1A1 (0.48) TSHRALDH1A1NPSR1KDM4EGAA
SCHEMBL1123804 0.82 MAPT (0.53) TSHRALDH1A1NPSR1KDM4EGAA
SCHEMBL12562847 0.78 TSHR (0.70) TSHRALDH1A1NPSR1KDM4EGAA
SCHEMBL1124007 0.77 TSHR (0.61) TSHRALDH1A1NPSR1KDM4EGAA
SCHEMBL1123920 0.76 TSHR (0.66) TSHRALDH1A1NPSR1KDM4EGAA
SCHEMBL1124068 0.76 TSHR (0.82) TSHRALDH1A1NPSR1KDM4EGAA
SCHEMBL1124034 0.76 TSHR (0.82) TSHRALDH1A1NPSR1KDM4EGAA

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 9 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
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
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 4591/4885ALDH1A1 213/4885NPSR1 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.