SCHEMBL6978658

SCHEMBL6978658

CNc1ccc(COc2cccc(F)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.60
MAOB P27338 10/20 0.56
MRGPRX4 Q96LA9 1/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
PKM P14618 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
BLM P54132 1/20 0.52
CASP6 P55212 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAOA P21397 2/20 0.49
NR4A2 P43354 2/20 0.48

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
SCHEMBL4343925 0.84 MAOB (0.65) APPMAOBALDH1A1LMNAMAPT
SCHEMBL6954816 0.84 MAOB (0.52) APPMAOBMRGPRX4MEN1ALDH1A1
SCHEMBL8033064 0.82 MAOB (0.68) MAOBMRGPRX4MAOANR4A2
SCHEMBL30449046 0.82 MAOB (0.68) MAOBMRGPRX4MAOANR4A2
SCHEMBL995120 0.80 MAOB (0.73) MAOBMAOANR4A2
SCHEMBL22874615 0.80 APP (0.70) APPMAOBMEN1ALDH1A1LMNA
SCHEMBL669237 0.80 MAOB (0.65) MAOBMRGPRX4MAOANR4A2
Hydrochloric Acid SCHEMBL992834 0.79 MAOB (0.73) MAOBMAOA
SCHEMBL4332952 0.79 MAOB (0.71) APPMAOBMRGPRX4MAPTRAB9A
SCHEMBL6979144 0.79 APP (0.44) APPMAOBMRGPRX4ALDH1A1MAPT

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 2 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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 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 (1 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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 APP 4616/4885MAOB 781/4885MRGPRX4 952/4885

“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.