SCHEMBL1123412

SCHEMBL1123412

c1ccc(C2CN(c3nc(N4CCOCC4)cc(N4CCOCC4)n3)CCN2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 5/20 0.68
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.45
PIK3CB P42338 2/20 0.45
PRKCQ Q04759 1/20 0.44
PRKCD Q05655 1/20 0.44
GSK3B P49841 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE10A Q9Y233 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL1123898 0.96 NAPEPLD (0.64) NAPEPLDHTTKMT2APIK3CBPRKCQ
SCHEMBL1123733 0.84 NAPEPLD (0.52) NAPEPLDPRKCQPRKCDGSK3BMAPT
SCHEMBL1123720 0.81 NAPEPLD (0.49) NAPEPLDHTTGSK3BNPSR1MAPT
SCHEMBL2708307 0.75 ADRB1 (0.50) NAPEPLDPRKCQPRKCDGSK3BKDM4E
SCHEMBL25224405 0.75 GSK3B (0.54) NAPEPLDKMT2APRKCQPRKCDGSK3B
SCHEMBL1123614 0.74 HTT (0.62) HTTKMT2APIK3CBNPSR1MAPT
SCHEMBL1123979 0.74 HTT (0.62) HTTKMT2APIK3CBNPSR1MAPT
SCHEMBL1124300 0.74 HTT (0.62) HTTKMT2APIK3CBNPSR1MAPT
SCHEMBL1124098 0.74 POLB (0.59) HTTKMT2APIK3CBNPSR1MAPT
SCHEMBL1124302 0.73 HTT (0.48) NAPEPLDHTTKMT2APIK3CBNPSR1

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 9 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
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 NAPEPLD 1034/4885HTT 838/4885KMT2A 4422/4885

“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.