SCHEMBL1123733

SCHEMBL1123733

Fc1c(N2CCOCC2)nc(N2CCNC(c3ccccc3)C2)nc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 1/20 0.52
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
PDE10A Q9Y233 1/20 0.41
POLB P06746 2/20 0.40
GSK3B P49841 2/20 0.40
RPS6KB1 P23443 1/20 0.39
MAPT P10636 1/20 0.39
MTOR P42345 2/20 0.38
PRKCQ Q04759 3/20 0.38
PRKCD Q05655 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
TSHR P16473 1/20 0.38
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL1123720 0.97 NAPEPLD (0.49) NAPEPLDKDM4EALDH1A1GLAGAA
SCHEMBL1123412 0.84 NAPEPLD (0.68) NAPEPLDKDM4EALDH1A1GAAHPGD
SCHEMBL13650824 0.82 NAPEPLD (0.47) NAPEPLDKDM4EHPGDPDE10AMTOR
SCHEMBL1123898 0.81 NAPEPLD (0.64) NAPEPLDKDM4EPOLBGSK3BMAPT
SCHEMBL13650805 0.77 KDM4E (0.56) NAPEPLDKDM4EALDH1A1GLAGAA
SCHEMBL1123997 0.74 ALDH1A1 (0.58) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1123820 0.74 ALDH1A1 (0.58) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL14932093 0.74 ADK (0.38) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL1123818 0.73 POLB (0.49) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2708307 0.72 ADRB1 (0.50) NAPEPLDKDM4EALDH1A1PDE10AGSK3B

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 10 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
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
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 NAPEPLD 1034/4885KDM4E 4265/4885ALDH1A1 213/4885

“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.