SCHEMBL1123579

SCHEMBL1123579

COc1ccccc1N1CCN(c2nc(N3CCOCC3)cc(N3CCOCC3)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
PIK3CB P42338 2/20 0.58
AKR1C3 P42330 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
DRD2 P14416 3/20 0.53
DRD3 P35462 3/20 0.53
DRD4 P21917 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
HRH2 P25021 1/20 0.53
HRH1 P35367 1/20 0.53
PIK3CD O00329 2/20 0.52
PIK3R1 P27986 2/20 0.52
PIK3CA P42336 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 3/20 0.51

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
SCHEMBL1123870 0.86 PIK3CB (0.51) USP2SMN1; SMN2PIK3CBDRD2DRD3
SCHEMBL3173622 0.83 AKR1C3 (0.70) AKR1C3DRD2DRD3DRD4ALDH1A1
SCHEMBL1123882 0.83 KMT2A (0.60) SMN1; SMN2PIK3CBAKR1C3ALDH1A1KDM4E
SCHEMBL1123711 0.83 KMT2A (0.60) SMN1; SMN2PIK3CBAKR1C3ALDH1A1KDM4E
SCHEMBL1124124 0.82 AKR1C3 (0.54) USP2SMN1; SMN2PIK3CBAKR1C3NPC1
SCHEMBL12527300 0.82 AKR1C3 (0.68) AKR1C3DRD2DRD3DRD4ALDH1A1
SCHEMBL5256445 0.81 CTSL (0.55) SMN1; SMN2AKR1C3NPC1DRD2DRD3
SCHEMBL1123748 0.81 KMT2A (0.54) SMN1; SMN2PIK3CBAKR1C3KDM4EMAPT
Nitrogen SCHEMBL9845855 0.80 AKR1C3 (0.67) AKR1C3DRD2DRD3DRD4ALDH1A1
SCHEMBL1123978 0.80 PIK3CB (0.54) SMN1; SMN2PIK3CBNPC1RAB9AALDH1A1

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-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
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 USP2 3493/4885SMN1; SMN2 49/4885PIK3CB 2966/4885

“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.