SCHEMBL1123799

SCHEMBL1123799

CN(C)c1nc(N2CCOCC2)c(F)c(N2CCN(c3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
AKR1C3 P42330 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
ADK P55263 2/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 1/20 0.40
PDE10A Q9Y233 1/20 0.39
USP2 O75604 1/20 0.39
SLC2A1 P11166 1/20 0.39

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
SCHEMBL1123951 0.87 TSHR (0.52) MAPTSMN1; SMN2TSHRLMNAKMT2A
SCHEMBL1123874 0.84 MAPT (0.54) MAPTL3MBTL1AKR1C3SMN1; SMN2ADK
SCHEMBL1123922 0.82 AKR1C3 (0.46) MAPTAKR1C3TSHRLMNAABL1
SCHEMBL27804983 0.79 MAPT (0.46) MAPTL3MBTL1TSHRLMNAMEN1
SCHEMBL1123782 0.79 LMNA (0.47) MAPTSMN1; SMN2TSHRLMNAABL1
SCHEMBL1123801 0.77 ALDH1A1 (0.49) MAPTTSHRLMNAMEN1KMT2A
SCHEMBL1123984 0.75 AKR1C3 (0.51) AKR1C3SMN1; SMN2TSHRLMNAMEN1
SCHEMBL21690 0.73 MAPT (0.66) MAPTAKR1C3SMN1; SMN2TSHRLMNA
SCHEMBL1123934 0.73 LMNA (0.51) MAPTL3MBTL1AKR1C3SMN1; SMN2LMNA
SCHEMBL1123709 0.73 LMNA (0.51) MAPTL3MBTL1AKR1C3SMN1; SMN2LMNA

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-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
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
CN-102046609-A pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2011-05-04 CN disclosed
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 EP 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 MAPT 350/4885L3MBTL1 701/4885AKR1C3 1628/4885

“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.