SCHEMBL1123734

SCHEMBL1123734

Fc1c(N2CCNCC2)nc(N2CCN(c3ccccn3)CC2)nc1N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.58
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 4/20 0.58
PLD1 Q13393 1/20 0.57
MTOR P42345 1/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 4/20 0.47
PIK3CD O00329 1/20 0.45
PIK3R1 P27986 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 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 0.93 ALDH1A1 (0.61) HPGDALDH1A1HSD17B10PLD1MTOR
SCHEMBL1124095 0.93 ALDH1A1 (0.61) HPGDALDH1A1HSD17B10PLD1MTOR
SCHEMBL1123968 0.87 HPGD (0.56) HPGDALDH1A1HSD17B10MTORKDM4E
SCHEMBL14931875 0.82 HPGD (0.47) HPGDALDH1A1HSD17B10PLD1MTOR
SCHEMBL1123818 0.81 POLB (0.49) HPGDALDH1A1HSD17B10POLBKDM4E
SCHEMBL27805098 0.81 PLD1 (0.47) HPGDALDH1A1HSD17B10PLD1POLB
SCHEMBL1123981 0.81 ALDH1A1 (0.61) HPGDALDH1A1HSD17B10MTORPOLB
SCHEMBL1123938 0.81 ADRB1 (0.54) HPGDALDH1A1HSD17B10POLBKDM4E
SCHEMBL1124002 0.80 HPGD (0.60) HPGDALDH1A1HSD17B10PLD1MTOR
SCHEMBL1123454 0.80 HPGD (0.60) HPGDALDH1A1HSD17B10PLD1MTOR

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 14 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
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
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.