SCHEMBL1124098

SCHEMBL1124098

c1ccc(N2CCN(c3nc(N4CCNCC4)cc(N4CCOCC4)n3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
CASP1 P29466 1/20 0.56
CASP4 P49662 1/20 0.56
CASP5 P51878 1/20 0.56
ADRB1 P08588 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
HTT P42858 1/20 0.55
CETP P11597 3/20 0.53
KMT2A Q03164 1/20 0.52
LMNA P02545 2/20 0.51
PIK3CB P42338 2/20 0.51
NPSR1 Q6W5P4 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
HRH4 Q9H3N8 1/20 0.50

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
SCHEMBL1123979 0.93 HTT (0.62) POLBCASP1CASP5HTTKMT2A
SCHEMBL1124300 0.93 HTT (0.62) POLBCASP1CASP5HTTKMT2A
SCHEMBL1123614 0.93 HTT (0.62) POLBCASP1CASP5HTTKMT2A
SCHEMBL9069830 0.88 CASP1 (0.71) POLBCASP1CASP4CASP5HTT
SCHEMBL1124059 0.84 HTT (0.52) CASP1CASP5HTTKMT2ALMNA
SCHEMBL6740206 0.82 LMNA (0.70) POLBHTTLMNAPIK3CBNPSR1
SCHEMBL1123741 0.82 KMT2A (0.55) HTTKMT2ALMNAPIK3CBNPSR1
SCHEMBL1123822 0.82 PIK3CB (0.50) POLBHTTKMT2ALMNAPIK3CB
SCHEMBL15334821 0.81 CETP (0.59) POLBCASP1CASP4CASP5HTT
SCHEMBL1124037 0.81 PIK3CA (0.65) HTTKMT2APIK3CBNPSR1KDM4E

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
CN-102046609-B pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2014-05-14 CN 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
CN-102046609-B pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2014-05-14 CN 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-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 POLB 725/4885CASP1 3/4885CASP4 27/4885

“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.