SCHEMBL6979146

SCHEMBL6979146

C/C=N/OCCN1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
KDM1A O60341 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
ALDH1A1 P00352 4/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 1/20 0.33
PTGS2 P35354 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.31
CYP2D6 P10635 1/20 0.31
LOX P28300 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6956811 0.83 KDM4E (0.36) KDM4EKDM1AHRH2HRH1ALDH1A1
SCHEMBL6979241 0.77 TDP1 (0.36) KDM4EHRH3CYP2D6
SCHEMBL12137190 0.75 ALDH1A1 (0.49) KDM4EKDM1AHRH2HRH1ALDH1A1
SCHEMBL15865996 0.75 HRH3 (0.38) HRH3SMN1; SMN2
SCHEMBL6976370 0.74 DRD3 (0.48) KDM4EKDM1AALDH1A1HRH3ALOX15
SCHEMBL8223233 0.74 ALDH1A1 (0.41) KDM4EKDM1AHRH2HRH1ALDH1A1
SCHEMBL6978047 0.74 SIGMAR1 (0.39) HRH2HRH1HRH3SMN1; SMN2
SCHEMBL6979248 0.73 HPGD (0.36) ALDH1A1
SCHEMBL15295188 0.73 HRH2 (0.44) KDM4EKDM1AHRH2HRH1ALDH1A1
SCHEMBL6978377 0.73 HDAC3 (0.46) KDM4EALDH1A1HRH3LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US 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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 KDM4E 2805/4885KDM1A 2611/4885HRH2 138/4885

“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.