SCHEMBL1123779

SCHEMBL1123779

COc1ccc(C=Cc2nc(N3CCNCC3)c(N)c(N3CCOCC3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.43
FLT3 P36888 4/20 0.43
NOS1 P29475 1/20 0.41
CLK1 P49759 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR6 P50406 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL1123776 1.00 HTR3E (0.45) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL1123926 0.93 FLT3 (0.47) MAPTKDM4EFLT3NOS1CLK1
SCHEMBL1123930 0.93 FLT3 (0.47) MAPTKDM4EFLT3NOS1CLK1
SCHEMBL1124102 0.88 HRH4 (0.46) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL1124104 0.88 HRH4 (0.46) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL1123790 0.88 HRH4 (0.46) MAPTKDM4EFLT3NOS1CLK1
SCHEMBL1123794 0.88 HRH4 (0.46) MAPTKDM4EFLT3NOS1CLK1
SCHEMBL1123916 0.88 FLT3 (0.45) MAPTKDM4EFLT3NOS1CLK1
SCHEMBL1123917 0.88 FLT3 (0.45) MAPTKDM4EFLT3NOS1CLK1
SCHEMBL1123726 0.86 ENPP1 (0.43) MAPTKDM4EFLT3NOS1CLK1

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 8 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
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
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 HTR3E 3548/4885HTR3B 3165/4885ADRB1 2244/4885

“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.