SCHEMBL8511925

SCHEMBL8511925

NC(CO)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.40
EPHX1 P07099 1/20 0.39
AR P10275 2/20 0.38
PTPN7 P35236 3/20 0.38
DUSP3 P51452 3/20 0.38
KIF11 P52732 1/20 0.36
MPL P40238 2/20 0.36
AKT1 P31749 1/20 0.35
ADRB2 P07550 5/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
PDE2A O00408 1/20 0.35
ADRB1 P08588 1/20 0.35
NR3C2 P08235 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
SCHEMBL8511924 1.00 TRPV3 (0.40) TRPV3EPHX1ARPTPN7DUSP3
SCHEMBL16464215 1.00 TRPV3 (0.40) TRPV3EPHX1ARPTPN7DUSP3
SCHEMBL15157757 0.83 SLC6A4 (0.44) EPHX1ARMPLAKT1PDE2A
SCHEMBL14980642 0.83 ANPEP (0.39) EPHX1ARMPLAKT1PDE2A
SCHEMBL297430 0.83 SLC6A4 (0.44) EPHX1ARMPLAKT1PDE2A
SCHEMBL2397716 0.83 SLC6A4 (0.44) EPHX1ARMPLAKT1PDE2A
SCHEMBL8511124 0.81 IDO1 (0.45) ADRB2ADRB1
SCHEMBL8511122 0.81 IDO1 (0.45) ADRB2ADRB1
Hydrochloric Acid SCHEMBL15758051 0.81 AKT1 (0.43) EPHX1ARPTPN7DUSP3MPL
SCHEMBL12494095 0.80 MPL (0.38) EPHX1ARPTPN7DUSP3KIF11

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
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
CN-103228649-A Quinazoline carboxamide azetidines MERCK PATENT GMBH 2013-07-31 CN 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 TRPV3 4298/4885EPHX1 3551/4885AR 3161/4885

“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.