SCHEMBL8514865

SCHEMBL8514865

COc1c(F)cc(C(N)CO)cc1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.36
DBH P09172 1/20 0.36
DPP4 P27487 2/20 0.33
PDE2A O00408 1/20 0.33
ACACB O00763 1/20 0.33
TUBB1 Q9H4B7 3/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
APP P05067 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8514861 1.00 ADRB2 (0.36) ADRB2DBHDPP4PDE2AACACB
SCHEMBL8511259 0.81 TRPV3 (0.41) ADRB2PDE2ATUBB1
SCHEMBL8511262 0.81 TRPV3 (0.41) ADRB2PDE2ATUBB1
SCHEMBL8173411 0.79 MAPT (0.47) TUBB1HTR2AHTR2CHTR2B
SCHEMBL8511277 0.78 CES2 (0.39) ADRB2DPP4PDE2A
SCHEMBL1239524 0.78 CES2 (0.39) ADRB2DPP4PDE2A
SCHEMBL15517307 0.77 PDE2A (0.47) PDE2ATUBB1
SCHEMBL15517309 0.77 PDE2A (0.47) PDE2ATUBB1
SCHEMBL507050 0.76 PDGFRB (0.33) ADRB2DBHPDE2AACACBTUBB1
Hydrochloric Acid SCHEMBL15511806 0.76 PDE2A (0.46) ADRB2PDE2ATUBB1

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 6 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
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 1632/4885DBH 3435/4885DPP4 1055/4885

“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.