SCHEMBL8515283

SCHEMBL8515283

N[C@H](CO)c1cc(F)c(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1A P35348 1/20 0.36
DPP4 P27487 6/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
RAD52 P43351 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL28021058 1.00 ADRB2 (0.36) ADRB2CYP3A4HSD17B10ADRA2AADRA2B
SCHEMBL14981225 0.77 DPP4 (0.35) ADRB2CYP3A4HSD17B10ADRA2AADRA2B
SCHEMBL8514447 0.77 PSEN1 (0.43) ADRA2CADRA1ADPP4
SCHEMBL4876509 0.77 CES2 (0.43) ADRB2CYP3A4HSD17B10ADRA2AADRA2B
SCHEMBL8513268 0.77 CES2 (0.43) ADRB2CYP3A4HSD17B10ADRA2AADRA2B
SCHEMBL8514443 0.77 PSEN1 (0.43) ADRA2CADRA1ADPP4
Hydrochloric Acid SCHEMBL1440962 0.75 IDO1 (0.44) CYP3A4DPP4KDM4EMAPTAPEX1
Hydrochloric Acid SCHEMBL1440966 0.75 IDO1 (0.44) CYP3A4DPP4KDM4EMAPTAPEX1
SCHEMBL28246724 0.74 DPP4 (0.37) ADRB2CYP3A4HSD17B10ADRA2AADRA2B
SCHEMBL4597897 0.74 ADRA2C (0.36) HSD17B10ADRA2AADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643313-B9 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2017-02-22 EP disclosed
EP-2643313-B1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2016-06-29 EP disclosed
CN-103228649-B Quinazoline methane amide azetidine MERCK PATENT GMBH (DE) 2015-11-25 CN disclosed
US-8946247-B2 Quinazoline carboxamide azetidines MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
EP-2643313-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES Merck Patent GmbH (DE) 2013-10-02 EP disclosed
US-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
WO-2012069146-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2012-05-31 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 (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-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES AZI2, NQO2, ABL1 ADRB2 1632/4885CYP3A4 828/4885HSD17B10 4254/4885

“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.