SCHEMBL6977010

SCHEMBL6977010

CNc1ccc(Oc2ccc(C)nc2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 14/20 0.57
EGFR P00533 8/20 0.57
ERBB3 P21860 1/20 0.57
ERBB4 Q15303 1/20 0.57
KCNH2 Q12809 3/20 0.45
TGFBR1 P36897 1/20 0.41
FECH P22830 1/20 0.41
CDK8 P49336 1/20 0.41
MAP2K5 Q13163 1/20 0.41
CDK19 Q9BWU1 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL6961006 0.84 ERBB2 (0.54) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL11961092 0.81 ERBB2 (0.49) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL13814713 0.79 HTR2A (0.42) KCNH2SCN5ASCN9ASLC6A4
SCHEMBL26172994 0.79 ERBB2 (0.49) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL4798131 0.78 ERBB2 (0.47) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL215985 0.78 ERBB2 (0.50) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL1096558 0.78 ERBB2 (0.59) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL12851559 0.77 ERBB2 (0.46) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL9975265 0.77 CSF1R (0.41) ERBB2EGFRERBB3ERBB4
SCHEMBL13950791 0.76 ERBB2 (0.46) ERBB2EGFRERBB3ERBB4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021030711-A1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-02-18 WO 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

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 ERBB2 1/4885EGFR 2/4885ERBB3 4/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 ERBB2 1/4885EGFR 2/4885ERBB3 4/4885

“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.