SCHEMBL526168

SCHEMBL526168

C/C=C(/Br)c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.62
RXRA P19793 2/20 0.54
NR1I2 O75469 1/20 0.48
NR4A2 P43354 1/20 0.48
PDE4D Q08499 1/20 0.48
HMGCR P04035 2/20 0.46
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ADORA2A P29274 1/20 0.36
SCN9A Q15858 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 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
SCHEMBL526170 1.00 PRKAA2 (0.62) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL28325787 0.83 PRKAA2 (0.58) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL28143562 0.83 PRKAA2 (0.58) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL1744135 0.83 PRKAA2 (0.67) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL13861857 0.81 PRKAA2 (0.65) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL356302 0.81 PRKAA2 (0.61) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL6068352 0.81 PRKAA2 (0.61) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL18791302 0.81 PRKAA2 (0.61) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL6068355 0.81 PRKAA2 (0.61) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL526202 0.79 PRKAA2 (0.68) PRKAA2RXRANR1I2NR4A2PDE4D

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-2598484-B1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS (SI) 2016-06-29 EP disclosed
US-9085538-B2 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK PHARMACEUTICALS D.D. (SI) 2015-07-21 US disclosed
US-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2014-02-20 US disclosed
EP-2598484-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK Pharmaceuticals d.d. (SI) 2013-06-05 EP disclosed
EP-2423195-A1 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK Pharmaceuticals d.d. (SI) 2012-02-29 EP disclosed
WO-2012013325-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2012-02-02 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-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HMGCR, PCSK9, FAH PRKAA2 317/4885RXRA 1879/4885NR1I2 4025/4885

“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.