SCHEMBL6980764

SCHEMBL6980764

CNc1ccc(OCc2cccc(F)c2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.54
EGFR P00533 7/20 0.51
ERBB2 P04626 6/20 0.51
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PLA2G1B P04054 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
MAOB P27338 3/20 0.47
HTR6 P50406 2/20 0.44
GAK O14976 1/20 0.44
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.44

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
SCHEMBL6979972 0.87 LMNA (0.50) MRGPRX4EGFRERBB2LMNAL3MBTL1
SCHEMBL6962368 0.85 MRGPRX4 (0.51) MRGPRX4EGFRERBB2LMNAL3MBTL1
SCHEMBL21340751 0.85 EGFR (0.53) MRGPRX4EGFRERBB2LMNAL3MBTL1
SCHEMBL9975357 0.85 EGFR (0.65) EGFRERBB2GAK
SCHEMBL6979978 0.84 FFAR4 (0.54) MRGPRX4L3MBTL1MAPT
SCHEMBL14548610 0.83 LMNA (0.52) EGFRERBB2LMNAL3MBTL1KDM4E
SCHEMBL12524900 0.82 MRGPRX4 (0.62) MRGPRX4LMNAL3MBTL1KDM4EGAA
SCHEMBL6980756 0.82 LMNA (0.45) MRGPRX4EGFRERBB2LMNAL3MBTL1
SCHEMBL6979470 0.80 MRGPRX4 (0.57) MRGPRX4MAOBHTR6
SCHEMBL1406384 0.80 MAOB (0.61) MRGPRX4EGFRERBB2LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MRGPRX4 952/4885EGFR 2/4885ERBB2 1/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 MRGPRX4 952/4885EGFR 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.