SCHEMBL1124097

SCHEMBL1124097

Oc1ccc(N2CCN(c3nc(N4CCOCC4)cc(N4CCOCC4)n3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.61
PIK3CA P42336 3/20 0.58
KMT2A Q03164 4/20 0.56
NPSR1 Q6W5P4 1/20 0.54
HRH4 Q9H3N8 1/20 0.54
KDM4E B2RXH2 4/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 3/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
POLB P06746 2/20 0.51
APAF1 O14727 1/20 0.51
PAX8 Q06710 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL1123884 0.85 MAPT (0.57) PIK3CAKMT2ANPSR1HRH4KDM4E
SCHEMBL1123583 0.85 KMT2A (0.65) PIK3CAKMT2ANPSR1HRH4KDM4E
SCHEMBL1123861 0.85 KMT2A (0.59) PIK3CAKMT2ANPSR1HRH4KDM4E
SCHEMBL1123990 0.85 KMT2A (0.65) PIK3CAKMT2ANPSR1HRH4KDM4E
SCHEMBL1123904 0.85 KMT2A (0.59) PIK3CAKMT2ANPSR1HRH4KDM4E
SCHEMBL1123614 0.84 HTT (0.62) PIK3CAKMT2ANPSR1HRH4KDM4E
SCHEMBL1123979 0.84 HTT (0.62) PIK3CAKMT2ANPSR1HRH4KDM4E
SCHEMBL1124300 0.84 HTT (0.62) PIK3CAKMT2ANPSR1HRH4KDM4E
SCHEMBL9003193 0.83 KMT2A (0.76) MTORPIK3CAKMT2ANPSR1HRH4
SCHEMBL1124031 0.82 PTGS2 (0.58) PIK3CAKMT2ANPSR1HRH4KDM4E

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 MTOR 1611/4885PIK3CA 2922/4885KMT2A 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.