SCHEMBL6980204

SCHEMBL6980204

COC(=O)CON=C(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
TSHR P16473 5/20 0.42
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.33
TET2 Q6N021 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL1121924 0.92 GAA (0.38) GAAMGAMSIMGAM2TSHR
SCHEMBL10864918 0.79 TSHR (0.40) GAAMGAMSIMGAM2TSHR
SCHEMBL10932294 0.79 MGAM (0.38) GAAMGAMSIMGAM2TSHR
SCHEMBL28498406 0.77 TSHR (0.50) GAAMGAMSIMGAM2TSHR
SCHEMBL12269670 0.77
SCHEMBL9482960 0.77 MGAM (0.37) GAAMGAMSIMGAM2TSHR
SCHEMBL9482958 0.77 MGAM (0.37) GAAMGAMSIMGAM2TSHR
SCHEMBL28439843 0.77 MGAM (0.37) GAAMGAMSIMGAM2TSHR
SCHEMBL22337997 0.77 TSHR (0.39) GAAMGAMSIMGAM2TSHR
SCHEMBL14000811 0.76 KMT2A (0.31) GAAKMT2A

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 GAA 1615/4885MGAM 3852/4885SI 3735/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 GAA 1615/4885MGAM 3852/4885SI 3735/4885

“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.