SCHEMBL6958466

SCHEMBL6958466

CC#C/C(=N\OCCNC1CCN(S(C)(=O)=O)CC1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
FABP6 P51161 1/20 0.35
ALDH1A1 P00352 3/20 0.35
OPRL1 P41146 1/20 0.33
GSK3B P49841 1/20 0.32
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RORC P51449 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6958096 0.85 KDM4E (0.31) ALDH1A1
SCHEMBL6958352 0.84 MEN1 (0.35) MEN1KMT2A
SCHEMBL6959729 0.83 EPHX2 (0.37) OPRL1EPHX1EPHX2
SCHEMBL6959594 0.82 KDM4E (0.37) ALDH1A1L3MBTL1
SCHEMBL6976860 0.80 TP53 (0.41) TP53FABP6ALDH1A1OPRL1GSK3B
SCHEMBL6959774 0.75 HTR1A (0.36)
SCHEMBL6955870 0.72
SCHEMBL190262 0.72 ALDH1A1 (0.50) TP53FABP6ALDH1A1OPRL1GSK3B
SCHEMBL23634820 0.70 FABP6 (0.45) TP53FABP6ALDH1A1OPRL1GSK3B
SCHEMBL6960089 0.68

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.