SCHEMBL1123979

SCHEMBL1123979

c1ccc(N2CCN(c3nc(N4CCOCC4)cc(N4CCOCC4)n3)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
KMT2A Q03164 1/20 0.59
LMNA P02545 3/20 0.59
PIK3CB P42338 2/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.56
RXFP1 Q9HBX9 1/20 0.56
NPSR1 Q6W5P4 3/20 0.56
HRH4 Q9H3N8 1/20 0.56
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
PIK3CA P42336 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.51
CASP1 P29466 1/20 0.51
CASP5 P51878 1/20 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
SCHEMBL1124300 1.00 HTT (0.62) HTTKMT2ALMNAPIK3CBKDM4E
SCHEMBL1123614 1.00 HTT (0.62) HTTKMT2ALMNAPIK3CBKDM4E
SCHEMBL1124098 0.93 POLB (0.59) HTTKMT2ALMNAPIK3CBKDM4E
SCHEMBL1124059 0.90 HTT (0.52) HTTKMT2ALMNAPIK3CBKDM4E
SCHEMBL6740206 0.88 LMNA (0.70) HTTLMNAPIK3CBKDM4EMAPT
SCHEMBL1123741 0.88 KMT2A (0.55) HTTKMT2ALMNAPIK3CBKDM4E
SCHEMBL1123822 0.88 PIK3CB (0.50) HTTKMT2ALMNAPIK3CBKDM4E
SCHEMBL1124037 0.87 PIK3CA (0.65) HTTKMT2APIK3CBKDM4EMAPT
SCHEMBL1123878 0.86 KMT2A (0.52) HTTKMT2ALMNAPIK3CBKDM4E
SCHEMBL9003193 0.86 KMT2A (0.76) HTTKMT2ALMNAPIK3CBKDM4E

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-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 HTT 838/4885KMT2A 4422/4885LMNA 1872/4885

“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.