SCHEMBL1124073

SCHEMBL1124073

CN1CCN(c2nc(N3CCN(c4ccccc4F)CC3)nc(N3CCOCC3)c2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HTR2C P28335 1/20 0.46
HRH4 Q9H3N8 2/20 0.45
PIK3R1 P27986 2/20 0.45
PIK3CA P42336 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
AKT1 P31749 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL1123969 0.94 KDM4E (0.51) TSHRMAPTMAPK1HSD17B10LMNA
SCHEMBL1123890 0.94 KDM4E (0.51) TSHRMAPTMAPK1HSD17B10LMNA
SCHEMBL1124057 0.89 HSD17B10 (0.49) TSHRMAPTHSD17B10LMNATHRB
SCHEMBL1123805 0.89 HRH4 (0.47) TSHRMAPTMAPK1KMT2AHSD17B10
SCHEMBL1123887 0.89 ALDH1A1 (0.53) TSHRMAPTMAPK1KMT2AHSD17B10
SCHEMBL1123818 0.87 POLB (0.49) TSHRHSD17B10LMNATHRBPOLB
SCHEMBL1123806 0.86 MAPT (0.63) TSHRMAPTMAPK1KMT2AHSD17B10
SCHEMBL1123862 0.85 LMNA (0.46) TSHRMAPTMAPK1KMT2AHSD17B10
SCHEMBL1123781 0.85 LMNA (0.46) TSHRMAPTMAPK1KMT2AHSD17B10
SCHEMBL1123716 0.85 LMNA (0.46) TSHRMAPTMAPK1KMT2AHSD17B10

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 TSHR 4591/4885MAPT 350/4885MAPK1 1242/4885

“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.