SCHEMBL6979258

SCHEMBL6979258

O=S(=O)(c1ccccc1)c1ccc(Nc2ncnc3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.69
EGFR P00533 7/20 0.69
ERBB2 P04626 3/20 0.69
AURKB Q96GD4 2/20 0.69
CLK4 Q9HAZ1 2/20 0.69
DAPK3 O43293 1/20 0.69
MAP4K4 O95819 1/20 0.69
ABL1 P00519 1/20 0.69
PIM1 P11309 1/20 0.69
PRKACA P17612 1/20 0.69
LTK P29376 1/20 0.69
MAPK8 P45983 1/20 0.69
CSNK1A1 P48729 1/20 0.69
RPS6KA3 P51812 1/20 0.69
LIMK1 P53667 1/20 0.69
MAP2K1 Q02750 1/20 0.69
ACVR1 Q04771 1/20 0.69
TYRO3 Q06418 1/20 0.69
MAP4K2 Q12851 1/20 0.69
ROCK1 Q13464 1/20 0.69

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
SCHEMBL2987637 0.85 EGFR (0.73) EGFRERBB2CLK4HSD17B10MAPK1
SCHEMBL13804575 0.84 EGFR (0.56) ABCG2EGFRERBB2AURKBCLK4
SCHEMBL3322206 0.84 EGFR (0.56) ABCG2EGFRERBB2AURKBCLK4
SCHEMBL29941271 0.83 EGFR (1.00) ABCG2EGFRERBB2AURKBCLK4
SCHEMBL8920 0.83 EGFR (1.00) ABCG2EGFRERBB2AURKBCLK4
Hydrochloric Acid SCHEMBL8808235 0.82 EGFR (0.90) ABCG2EGFRERBB2AURKBCLK4
SCHEMBL3320599 0.81 EGFR (0.76) ABCG2EGFRERBB2AURKBCLK4
Hydrochloric Acid SCHEMBL20856873 0.81 EGFR (0.96) ABCG2EGFRERBB2AURKBCLK4
Hydrochloric Acid SCHEMBL29394578 0.81 EGFR (0.96) ABCG2EGFRERBB2AURKBCLK4
SCHEMBL3324098 0.81 EGFR (0.57) ABCG2EGFRERBB2AURKBCLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854789-B1 QUINAZOLINE DERIVATIVE HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2013-10-09 EP disclosed
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
EP-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 EP disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 WO 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 ABCG2 261/4885EGFR 2/4885ERBB2 1/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 ABCG2 261/4885EGFR 2/4885ERBB2 1/4885

“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.