SCHEMBL6962433

SCHEMBL6962433

CC(C)CCNCCN(C)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP3 P08254 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
SCHEMBL13553459 0.79 MEN1 (0.38) MMP1MMP2MMP8MMP13MEN1
SCHEMBL22931113 0.75 MEN1 (0.35) MEN1KMT2A
SCHEMBL12967465 0.75 PSEN1 (0.37) MMP1MMP2MMP8MMP13MEN1
SCHEMBL6738096 0.74 CYP2C9 (0.52)
SCHEMBL15384961 0.74 TRPV4 (0.36) MMP1MMP2MMP8MMP13MEN1
SCHEMBL15384963 0.74 LMNA (0.37) MMP1MMP2MMP8MMP13MEN1
SCHEMBL13995258 0.73 MEN1 (0.39) MEN1KMT2A
SCHEMBL469145 0.71 POLB (0.30) KMT2A
SCHEMBL21087533 0.71 CYP2C9 (0.33)
SCHEMBL40975 0.71 LMNA (0.35) MEN1KMT2A

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 MMP1 2494/4885MMP2 1503/4885MMP8 944/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 MMP1 2494/4885MMP2 1503/4885MMP8 944/4885

“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.