SCHEMBL1123968

SCHEMBL1123968

CN1CCN(c2nc(N3CCN(c4ccccn4)CC3)nc(N3CCOCC3)c2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.56
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 3/20 0.56
NPSR1 Q6W5P4 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
KDM4E B2RXH2 5/20 0.48
MAPT P10636 3/20 0.48
TSHR P16473 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
MTOR P42345 1/20 0.46
NPC1 O15118 1/20 0.46
HK1 P19367 1/20 0.46
RAB9A P51151 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL1123935 0.94 ALDH1A1 (0.61) HPGDALDH1A1HSD17B10NPSR1KDM4E
SCHEMBL1124095 0.94 ALDH1A1 (0.61) HPGDALDH1A1HSD17B10NPSR1KDM4E
SCHEMBL1123734 0.87 HPGD (0.58) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL1123806 0.84 MAPT (0.63) HPGDALDH1A1HSD17B10NPSR1HRH4
SCHEMBL1123801 0.82 ALDH1A1 (0.49) HPGDALDH1A1HSD17B10NPSR1KDM4E
SCHEMBL1123981 0.82 ALDH1A1 (0.61) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL1124073 0.81 TSHR (0.50) HPGDALDH1A1HSD17B10NPSR1HRH4
SCHEMBL1123719 0.81 GPR119 (0.56) HPGDALDH1A1HSD17B10KDM4EMTOR
SCHEMBL1123939 0.81 KDM4E (0.56) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL1123805 0.80 HRH4 (0.47) HPGDALDH1A1HSD17B10NPSR1HRH4

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
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
CN-102046609-A pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2011-05-04 CN 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
CN-102046609-A pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2011-05-04 CN 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 HPGD 90/4885ALDH1A1 213/4885HSD17B10 1975/4885

“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.