SCHEMBL1124052

SCHEMBL1124052

CCCCN(CCCC)c1cc(N2CCOCC2)nc(N2CCN(c3ccccc3)CC2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ KMT2A Q03164 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ GBA1 P04062 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NAPEPLD Q6IQ20 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PIK3CB P42338 1/20 0.40

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
SCHEMBL1123878 0.83 KMT2A (0.52) NPSR1TSHRKMT2AHRH4LMNA
SCHEMBL1123614 0.79 HTT (0.62) NPSR1TSHRKMT2AHRH4LMNA
SCHEMBL1124300 0.79 HTT (0.62) NPSR1TSHRKMT2AHRH4LMNA
SCHEMBL1123979 0.79 HTT (0.62) NPSR1TSHRKMT2AHRH4LMNA
SCHEMBL3118321 0.76 PIK3CA (0.46) NPSR1TSHRKDM4ENAPEPLD
SCHEMBL1124063 0.76 ALDH1A1 (0.55) NPSR1TSHRKMT2AHRH4LMNA
SCHEMBL27804971 0.76 CETP (0.36) NPSR1TSHRCYP3A4
SCHEMBL1124098 0.74 POLB (0.59) NPSR1TSHRKMT2AHRH4LMNA
SCHEMBL1124029 0.72 CASP1 (0.61) NPSR1TSHRKMT2AHRH4LMNA
SCHEMBL6740206 0.72 LMNA (0.70) NPSR1TSHRLMNAKDM4EHTT

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 15 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
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 NPSR1 2137/4885TSHR 4591/4885KMT2A 4422/4885

“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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