SCHEMBL1123903

SCHEMBL1123903

COc1ccc(/C=C/c2nc(N(C)C)c(N)c(N3CCNCC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.41
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR1A P08908 3/20 0.39
HTR1B P28222 2/20 0.39
HTR1D P28221 1/20 0.39
ENPP1 P22413 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ILK Q13418 1/20 0.37
TGFBR1 P36897 1/20 0.36
HTR7 P34969 2/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL1123603 1.00 ADRB1 (0.41) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1123841 0.87 FLT3 (0.42) ENPP1KMT2AMEN1MAPTKDM4E
SCHEMBL1124048 0.87 FLT3 (0.42) ENPP1KMT2AMEN1MAPTKDM4E
SCHEMBL14943841 0.86 FLT3 (0.37) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1124102 0.85 HRH4 (0.46) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1124104 0.85 HRH4 (0.46) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1123779 0.84 HTR3E (0.45) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1123776 0.84 HTR3E (0.45) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1124062 0.81 MAPT (0.48) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL1124040 0.81 MAPT (0.48) KMT2AMEN1MAPTKDM4EALDH1A1

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 12 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
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
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
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 ADRB1 2244/4885HTR3E 3548/4885HTR3B 3165/4885

“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.