SCHEMBL6976860

SCHEMBL6976860

CC(C)=NOCCNC1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
FABP6 P51161 1/20 0.40
ALDH1A1 P00352 5/20 0.40
OPRL1 P41146 1/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GSK3B P49841 1/20 0.34
KDM1A O60341 1/20 0.33

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
SCHEMBL6976420 0.81 DPP7 (0.40) OPRL1
SCHEMBL6958466 0.80 TP53 (0.37) TP53FABP6ALDH1A1OPRL1EPHX1
SCHEMBL6979252 0.80 EPHX2 (0.42) ALDH1A1OPRL1EPHX1EPHX2SMN1; SMN2
SCHEMBL6978880 0.80 KDM4E (0.34) ALDH1A1
SCHEMBL190262 0.79 ALDH1A1 (0.50) TP53FABP6ALDH1A1OPRL1SMYD3
SCHEMBL23634820 0.78 FABP6 (0.45) TP53FABP6ALDH1A1OPRL1EPHX1
SCHEMBL6980139 0.76 KDM4E (0.41) ALDH1A1EPHX1L3MBTL1LMNA
SCHEMBL14400085 0.74 FABP6 (0.49) TP53FABP6ALDH1A1OPRL1EPHX1
SCHEMBL6976911 0.73 OPRL1 (0.33) OPRL1
SCHEMBL12750868 0.70 FABP6 (0.51) TP53FABP6ALDH1A1OPRL1EPHX1

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 4 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-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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 (2 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 TP53 966/4885FABP6 4527/4885ALDH1A1 4593/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 TP53 966/4885FABP6 4527/4885ALDH1A1 4593/4885

“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.