SCHEMBL1123952

SCHEMBL1123952

Cc1cccc(N2CCN(c3nc(N4CCN(Cc5ccc(N(C)C)cc5)CC4)nc(N4CCOCC4)c3F)CC2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 3/20 0.43
GAA P10253 3/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
PIK3CA P42336 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 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
SCHEMBL1123871 0.90 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDPOLBALOX15
SCHEMBL1123872 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDPOLBALOX15
SCHEMBL1123793 0.85 LMNA (0.49) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL1123964 0.81 REV1 (0.46) ALDH1A1KDM4EHPGDPOLBALOX15
SCHEMBL1123716 0.81 LMNA (0.46) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL1123862 0.81 LMNA (0.46) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL1123781 0.81 LMNA (0.46) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL15334796 0.80 ADRB1 (0.56) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL1124072 0.80 ADRB1 (0.56) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL1123914 0.80 ADRB1 (0.56) ALDH1A1KDM4EHPGDPOLBMAPT

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 ALDH1A1 213/4885KDM4E 4265/4885HPGD 90/4885

“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.