SCHEMBL1123984

SCHEMBL1123984

COc1ccccc1N1CCN(c2nc(N(C)C)nc(N3CCOCC3)c2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
POLB P06746 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
MAPK1 P28482 2/20 0.49
USP2 O75604 1/20 0.49
CYP3A4 P08684 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
DRD4 P21917 2/20 0.47
NTSR1 P30989 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HRH1 P35367 2/20 0.46
HRH2 P25021 1/20 0.46
HTR1A P08908 1/20 0.44
TSPO P30536 1/20 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
SCHEMBL1124124 0.87 AKR1C3 (0.54) AKR1C3POLBCYP1A2CYP2D6MAPK1
SCHEMBL1123782 0.86 LMNA (0.47) POLBSMN1; SMN2NPSR1LMNATSHR
SCHEMBL1123922 0.85 AKR1C3 (0.46) AKR1C3POLBCYP1A2CYP3A4NTSR1
SCHEMBL1123951 0.82 TSHR (0.52) POLBCYP1A2CYP2D6MAPK1USP2
SCHEMBL27804983 0.79 MAPT (0.46) CYP1A2CYP2D6MAPK1USP2CYP3A4
SCHEMBL3173622 0.78 AKR1C3 (0.70) AKR1C3POLBCYP1A2MAPK1CYP3A4
SCHEMBL12527300 0.77 AKR1C3 (0.68) AKR1C3POLBCYP1A2MAPK1CYP3A4
SCHEMBL1123801 0.77 ALDH1A1 (0.49) POLBMAPK1MEN1KMT2ANPSR1
Nitrogen SCHEMBL9845855 0.76 AKR1C3 (0.67) AKR1C3POLBMAPK1DRD2DRD3
SCHEMBL1123701 0.75 PIK3CB (0.52) MAPK1USP2DRD2DRD3DRD4

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 11 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
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 AKR1C3 1628/4885POLB 725/4885CYP1A2 3580/4885

“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.