SCHEMBL1123954

SCHEMBL1123954

Cc1cccc(N2CCN(c3nc(N4CCOCC4)cc(N4CCOCC4)n3)CC2)c1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.54
▸ HRH4 Q9H3N8 1/20 0.54
▸ LMNA P02545 3/20 0.54
▸ GAA P10253 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HSP90AA1 P07900 1/20 0.54
▸ GBA1 P04062 1/20 0.53
▸ PIK3CA P42336 2/20 0.49
▸ ADRB1 P08588 1/20 0.49
▸ PIK3CB P42338 2/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HTT P42858 2/20 0.46

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
SCHEMBL1123882 0.89 KMT2A (0.60) KMT2ANPSR1HRH4LMNAGAA
SCHEMBL1123711 0.89 KMT2A (0.60) KMT2ANPSR1HRH4LMNAGAA
SCHEMBL1123741 0.85 KMT2A (0.55) KMT2ANPSR1HRH4LMNAGAA
SCHEMBL21893900 0.83 ADRB1 (0.62) KMT2ANPSR1LMNAGAAMAPT
SCHEMBL1124234 0.83 KMT2A (0.52) KMT2ANPSR1HRH4LMNAGAA
SCHEMBL1123793 0.82 LMNA (0.49) NPSR1LMNAGAAMAPTHSP90AA1
SCHEMBL1123748 0.80 KMT2A (0.54) KMT2ANPSR1HRH4LMNAGAA
SCHEMBL1123914 0.79 ADRB1 (0.56) LMNAGAAMAPTPIK3CAADRB1
SCHEMBL15334796 0.79 ADRB1 (0.56) LMNAGAAMAPTPIK3CAADRB1
SCHEMBL1124072 0.79 ADRB1 (0.56) LMNAGAAMAPTPIK3CAADRB1

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 10 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

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 KMT2A 4422/4885NPSR1 2137/4885HRH4 3298/4885

“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.

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