SCHEMBL1123686

SCHEMBL1123686

C1=C(c2ccccc2)CCN(c2cc(N3CCOCC3)nc(N3CCOCC3)n2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.58
NPSR1 Q6W5P4 5/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPK1 P28482 1/20 0.51
PIK3CA P42336 2/20 0.51
KMT2A Q03164 1/20 0.49
PIK3CB P42338 1/20 0.48
LMNA P02545 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MTOR P42345 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
GPR55 Q9Y2T6 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
SCHEMBL1123901 0.96 HTT (0.59) HTTNPSR1MAPTTSHRHSD17B10
SCHEMBL1123747 0.80 ALDH1A1 (0.49) NPSR1MAPTTSHRHSD17B10PIK3CA
SCHEMBL1123941 0.79 ALDH1A1 (0.47) HTTNPSR1MAPTTSHRHSD17B10
SCHEMBL1123614 0.78 HTT (0.62) HTTNPSR1MAPTTSHRHSD17B10
SCHEMBL1123979 0.78 HTT (0.62) HTTNPSR1MAPTTSHRHSD17B10
SCHEMBL1124300 0.78 HTT (0.62) HTTNPSR1MAPTTSHRHSD17B10
SCHEMBL9003193 0.77 KMT2A (0.76) HTTNPSR1MAPTPIK3CAKMT2A
SCHEMBL1123752 0.74 CASP1 (0.78) HTTTSHRKMT2ACASP1CASP4
SCHEMBL1123836 0.73 NAPEPLD (0.62) HTTNPSR1MAPTHSD17B10KMT2A
SCHEMBL9640164 0.72 KMT2A (0.69) HTTNPSR1HSD17B10MAPK1PIK3CA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8563715-B2 Pyrimidine derivative having cell protecting effect and uses thereof ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2013-10-22 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
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 HTT 838/4885NPSR1 2137/4885MAPT 350/4885

“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.