SCHEMBL6960989

SCHEMBL6960989

C#Cc1cc(NC(C)C)ccc1OCc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.52
ERBB2 P04626 13/20 0.52
LMNA P02545 2/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PLA2G1B P04054 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42

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
SCHEMBL6962361 0.88 EGFR (0.43) EGFRERBB2LMNAMAOBMAOA
SCHEMBL6961120 0.84 LMNA (0.47) EGFRERBB2LMNAMAOBL3MBTL1
SCHEMBL6962368 0.83 MRGPRX4 (0.51) EGFRERBB2LMNAMAOBL3MBTL1
SCHEMBL22967587 0.82 EGFR (0.51) EGFRERBB2LMNAMAOBL3MBTL1
SCHEMBL6961577 0.82 EGFR (0.61) EGFRERBB2
SCHEMBL17489331 0.82 EGFR (0.47) EGFRERBB2LMNAMAOBMAOA
SCHEMBL11949601 0.80 EGFR (0.49) EGFRERBB2MAOBMAOAKDM4E
SCHEMBL4028363 0.78 MAOB (0.57) EGFRERBB2LMNAMAOBMAOA
SCHEMBL22874578 0.77 MAOB (0.60) LMNAMAOBMAOAKDM4EALDH1A1
SCHEMBL15701549 0.77 EGFR (0.47) EGFRERBB2LMNAMAOBMAOA

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 EGFR 2/4885ERBB2 1/4885LMNA 4634/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 EGFR 2/4885ERBB2 1/4885LMNA 4634/4885

“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.