SCHEMBL1124124

SCHEMBL1124124

COc1ccccc1N1CCN(c2nc(N3CCOCC3)c(F)c(N3CCOCC3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
POLB P06746 1/20 0.52
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
DRD4 P21917 2/20 0.49
CYP1A2 P05177 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
AGER Q15109 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TRPM8 Q7Z2W7 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL1123984 0.87 AKR1C3 (0.51) AKR1C3POLBDRD2DRD3DRD4
SCHEMBL1123701 0.87 PIK3CB (0.52) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL1124125 0.84 HSD17B10 (0.53) AKR1C3POLBCYP1A2HSD17B10MAPK1
SCHEMBL1124147 0.84 HSD17B10 (0.53) AKR1C3POLBCYP1A2HSD17B10MAPK1
SCHEMBL1123405 0.83 PIK3CB (0.48) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL1123969 0.83 KDM4E (0.51) POLBHSD17B10MAPK1KDM4ELMNA
SCHEMBL1123890 0.83 KDM4E (0.51) POLBHSD17B10MAPK1KDM4ELMNA
SCHEMBL1123579 0.82 USP2 (0.63) AKR1C3DRD2DRD3DRD4CYP1A2
SCHEMBL1123857 0.82 KDM4E (0.50) AKR1C3POLBCYP1A2HSD17B10CYP2C9
SCHEMBL15334823 0.82 PIK3CB (0.47) POLBDRD2DRD3DRD4MEN1

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 12 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

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 725/4885DRD2 3516/4885

“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.