SCHEMBL1123760

SCHEMBL1123760

Nc1c(N2CCOCC2)nc(C=Cc2ccncc2)nc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.43
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AR P10275 1/20 0.39
PIK3CA P42336 3/20 0.38
ATM Q13315 1/20 0.36
ADORA2A P29274 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
ENPP1 P22413 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL1123986 1.00 CTSK (0.43) CTSKLMNAHTTMAPTKDM4E
SCHEMBL1123866 0.85 MAPT (0.45) CTSKLMNAHTTMAPTKDM4E
SCHEMBL1123867 0.85 MAPT (0.45) CTSKLMNAHTTMAPTKDM4E
SCHEMBL1124042 0.83 CTSK (0.52) CTSKLMNAHTTMAPTKDM4E
SCHEMBL1124056 0.83 CTSK (0.52) CTSKLMNAHTTMAPTKDM4E
SCHEMBL1123926 0.82 FLT3 (0.47) MAPTKDM4EPOLBPIK3CAATM
SCHEMBL1123930 0.82 FLT3 (0.47) MAPTKDM4EPOLBPIK3CAATM
SCHEMBL1124022 0.78 NPC1 (0.46) CTSKMAPTKDM4EGAAPOLB
SCHEMBL1124027 0.78 NPC1 (0.46) CTSKMAPTKDM4EGAAPOLB
SCHEMBL1123794 0.77 HRH4 (0.46) MAPTKDM4E

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 8 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
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

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 CTSK 2876/4885LMNA 1872/4885HTT 838/4885

“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.