SCHEMBL5190429

SCHEMBL5190429

NC(=O)C1CCN(c2ncccn2)CC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.72
CYP2C19 P33261 1/20 0.72
RECQL P46063 1/20 0.57
RXFP1 Q9HBX9 2/20 0.53
MAPT P10636 1/20 0.53
CYP3A4 P08684 1/20 0.51
TP53 P04637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.50
RIPK1 Q13546 1/20 0.49
HTT P42858 1/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
2-Piperazin-1-Yl-Pyrimidine SCHEMBL1723933 0.84 KDM4E (0.60) KDM4ECYP2C19RECQLRXFP1MAPT
SCHEMBL20766983 0.84 CYP3A4 (0.54) KDM4ECYP2C19RECQLCYP3A4ALDH1A1
SCHEMBL195842 0.84 KDM4E (1.00) KDM4ECYP2C19RXFP1MAPTTP53
SCHEMBL20533493 0.83 CYP3A4 (0.53) KDM4ECYP2C19RECQLCYP3A4ALDH1A1
SCHEMBL12639917 0.82 KDM4E (0.72) KDM4ECYP2C19RXFP1MAPTTP53
SCHEMBL18255118 0.82 KDM4E (0.72) KDM4ECYP2C19RXFP1MAPTTP53
SCHEMBL12288871 0.81 HDAC6 (0.52) KDM4ECYP2C19RECQLCYP3A4ALDH1A1
SCHEMBL5101545 0.81 KDM4E (0.66) KDM4ECYP2C19RXFP1MAPTTP53
SCHEMBL15740759 0.81 KDM4E (0.49) KDM4ECYP2C19RECQLCYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL5211735 0.80 KDM4E (0.64) KDM4ECYP2C19RXFP1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885CYP2C19 209/4885RECQL 1088/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885CYP2C19 209/4885RECQL 1088/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 KDM4E 1358/4885CYP2C19 380/4885RECQL 1269/4885

“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.