SCHEMBL4032983

SCHEMBL4032983

O=C(ONc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
S1PR2 O95136 1/20 0.45
S1PR4 O95977 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 1/20 0.45
PAX8 Q06710 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 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
SCHEMBL4832864 0.76 HDAC1 (0.44) MEN1KMT2APDK1PDK2PDK3
SCHEMBL3319855 0.74 MEN1 (0.55) MEN1KMT2ANR4A2
Trifluoroacetic Acid SCHEMBL4032980 0.74 MEN1 (0.58) MEN1KMT2ASMN1; SMN2GAAMAPT
SCHEMBL7420439 0.73 MAOB (0.58) SMN1; SMN2LMNAHTTLTA4HNR4A2
SCHEMBL4674930 0.72 MEN1 (0.70) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL3818042 0.70 LTA4H (0.65) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1172070 0.70 HDAC1 (0.64)
SCHEMBL4032867 0.70 NPC1 (0.57) MEN1KMT2APDK1PDK2PDK3
SCHEMBL7058052 0.70 HDAC1 (0.49) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL16348239 0.70 MEN1 (0.65) MEN1KMT2ALMNANR4A2

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
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 MEN1 1212/4885KMT2A 1693/4885PDK1 592/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 MEN1 2352/4885KMT2A 1786/4885PDK1 1631/4885

“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.