SCHEMBL1123837

SCHEMBL1123837

Nc1c(N2CCOCC2)nc(N2CCCc3ccccc32)nc1N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
AKT1 P31749 1/20 0.51
PIK3CA P42336 1/20 0.51
ALDH1A1 P00352 8/20 0.49
MAPT P10636 5/20 0.49
LMNA P02545 3/20 0.49
USP2 O75604 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
PTK2 Q05397 1/20 0.48
ROCK1 Q13464 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 3/20 0.45
HPGD P15428 3/20 0.45
GLA P06280 2/20 0.45

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
SCHEMBL1123919 0.83 TSHR (0.53) TSHRAKT1PIK3CAALDH1A1MAPT
SCHEMBL1123695 0.83 AKT1 (0.60) TSHRAKT1PIK3CAALDH1A1MAPT
SCHEMBL15334795 0.83 TSHR (0.52) TSHRAKT1PIK3CAALDH1A1MAPT
SCHEMBL1123909 0.76 GRIN2D (0.48) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL1123961 0.76 TSHR (0.55) TSHRAKT1PIK3CAALDH1A1MAPT
SCHEMBL1123788 0.76 PIK3CA (0.58) TSHRAKT1PIK3CAALDH1A1MAPT
SCHEMBL854991 0.76 PIK3CA (0.80) AKT1PIK3CA
SCHEMBL1123756 0.74 PIK3CA (0.45) TSHRAKT1PIK3CAALDH1A1MAPT
SCHEMBL1123953 0.72 ALDH1A1 (0.58) TSHRPIK3CAALDH1A1MAPTLMNA
SCHEMBL1123739 0.72 ALDH1A1 (0.58) TSHRPIK3CAALDH1A1MAPTLMNA

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 11 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
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
EP-2284160-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2011-02-16 EP disclosed
WO-2009123221-A1 PYRIMIDINE DERIVATIVE HAVING CELL-PROTECTING ACTIVITY AND USE THEREOF 全薬工業株式会社 (JP) 2009-10-08 WO 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 4591/4885AKT1 2521/4885PIK3CA 2922/4885

“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.