SCHEMBL13328616

SCHEMBL13328616

CC(C)[C@@H](C)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
P2RX7 Q99572 1/20 0.47
PDE2A O00408 2/20 0.39
CCR1 P32246 1/20 0.36
MPL P40238 3/20 0.36
CTSS P25774 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
EPHX2 P34913 1/20 0.35
SOS1 Q07889 5/20 0.34
HSD11B1 P28845 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL12009462 0.84 P2RX7 (0.50) IDO1TDO2P2RX7PDE2ACCR1
SCHEMBL25093553 0.82 P2RX7 (0.36) IDO1TDO2P2RX7PDE2A
SCHEMBL25094811 0.82 P2RX7 (0.36) IDO1TDO2P2RX7PDE2A
SCHEMBL23172133 0.82 P2RX7 (0.47) IDO1TDO2P2RX7HSD11B1
SCHEMBL13537951 0.82 P2RX7 (0.47) IDO1TDO2P2RX7HSD11B1
SCHEMBL25019477 0.81 IDO1 (0.47) IDO1TDO2P2RX7PDE2ACCR1
SCHEMBL21132890 0.81 IDO1 (0.47) IDO1TDO2P2RX7PDE2ACCR1
SCHEMBL14120782 0.81 IDO1 (0.51) IDO1TDO2P2RX7PDE2ACCR1
SCHEMBL24988934 0.81 IDO1 (0.47) IDO1TDO2P2RX7PDE2ACCR1
SCHEMBL4550765 0.81 IDO1 (0.51) IDO1TDO2P2RX7PDE2ACCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318751-B2 Pyrimidinone derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
WO-2008130584-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 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-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR180, GPR17 IDO1 959/4885TDO2 1410/4885P2RX7 91/4885

“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.