SCHEMBL1123908

SCHEMBL1123908

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.52
ENPP1 P22413 1/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MELK Q14680 1/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
KCNH2 Q12809 1/20 0.39
CTSL P07711 1/20 0.39
PKM P14618 1/20 0.39
NOS1 P29475 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL1123906 1.00 FLT3 (0.52) FLT3ENPP1MAPTNPC1RAB9A
SCHEMBL1123732 0.90 FLT3 (0.60) FLT3MAPTRAB9AKDM4EMELK
SCHEMBL1123729 0.90 FLT3 (0.60) FLT3MAPTRAB9AKDM4EMELK
SCHEMBL1123946 0.87 FLT3 (0.47) FLT3ENPP1MAPTNPC1RAB9A
SCHEMBL1123948 0.87 FLT3 (0.47) FLT3ENPP1MAPTNPC1RAB9A
SCHEMBL1123958 0.86 FLT3 (0.53) FLT3ENPP1MAPTRAB9AKDM4E
SCHEMBL1123950 0.86 FLT3 (0.53) FLT3ENPP1MAPTRAB9AKDM4E
SCHEMBL1123930 0.86 FLT3 (0.47) FLT3ENPP1MAPTNPC1RAB9A
SCHEMBL1123926 0.86 FLT3 (0.47) FLT3ENPP1MAPTNPC1RAB9A
SCHEMBL1124074 0.86 FLT3 (0.46) FLT3ENPP1MAPTNPC1RAB9A

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 7 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
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 FLT3 3375/4885ENPP1 286/4885MAPT 350/4885

“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.