SCHEMBL1123971

SCHEMBL1123971

COc1ccc(C=Cc2nc(N3CCOCC3)c(N)c(N3CCN(S(=O)(=O)N(C)C)CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.43
PIK3CD O00329 1/20 0.43
PIK3R1 P27986 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ENPP1 P22413 1/20 0.40
MAPT P10636 6/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.39
FLT3 P36888 4/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MTOR P42345 1/20 0.38
HSD17B10 Q99714 2/20 0.38
NOS1 P29475 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL1123970 1.00 PIK3CA (0.43) PIK3CAPIK3CDPIK3R1MEN1KMT2A
SCHEMBL1123930 0.87 FLT3 (0.47) PIK3CAMEN1KMT2AENPP1MAPT
SCHEMBL1123926 0.87 FLT3 (0.47) PIK3CAMEN1KMT2AENPP1MAPT
SCHEMBL1123790 0.84 HRH4 (0.46) MAPTKDM4EFLT3NOS1L3MBTL1
SCHEMBL1123794 0.84 HRH4 (0.46) MAPTKDM4EFLT3NOS1L3MBTL1
SCHEMBL1123841 0.82 FLT3 (0.42) PIK3CAMEN1KMT2AENPP1MAPT
SCHEMBL1124048 0.82 FLT3 (0.42) PIK3CAMEN1KMT2AENPP1MAPT
SCHEMBL1123916 0.82 FLT3 (0.45) PIK3CAMEN1KMT2AENPP1MAPT
SCHEMBL1123917 0.82 FLT3 (0.45) PIK3CAMEN1KMT2AENPP1MAPT
SCHEMBL1124071 0.81 MAPT (0.43) PIK3CAMEN1KMT2AENPP1MAPT

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 PIK3CA 2922/4885PIK3CD 3729/4885PIK3R1 3678/4885

“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.