SCHEMBL17548201

SCHEMBL17548201

Fc1cccc(OC(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.42
RXRA P19793 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
MBOAT4 Q96T53 1/20 0.36
MAPT P10636 1/20 0.35
PDE10A Q9Y233 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 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
SCHEMBL29576132 0.81 HTR7 (0.43) GRM4MBOAT4PDE10AHCRTR1HCRTR2
SCHEMBL31043116 0.81 MAPT (0.37) GRM4MAPT
SCHEMBL17239464 0.81 HTR7 (0.43) GRM4MBOAT4PDE10AHCRTR1HCRTR2
SCHEMBL22758369 0.81 MAPT (0.37) GRM4MAPT
SCHEMBL17801501 0.77 MBOAT4 (0.35) MBOAT4PDE10AHCRTR1HCRTR2
SCHEMBL12093565 0.77 KDR (0.42) GRIN1GRIN2BMBOAT4PDE10AHCRTR1
SCHEMBL15607558 0.77 MBOAT4 (0.41) GRM4MBOAT4PDE10AHCRTR1HCRTR2
SCHEMBL15832227 0.77 CCR1 (0.43) GRM4RXRAGRIN1GRIN2BMBOAT4
SCHEMBL30052574 0.77 MBOAT4 (0.41) GRM4MBOAT4PDE10AHCRTR1HCRTR2
SCHEMBL363302 0.77 CYP3A4 (0.38) GRM4RXRAGRIN1GRIN2BMBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980948-B2 Azaindole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2018-05-29 US disclosed
US-9980948-B2 Azaindole derivative having AMPK-activating activity SHIONOGI & CO., LTD. (JP) 2018-05-29 US disclosed
US-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-28 US disclosed
US-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-28 US disclosed
WO-2016031842-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING EFFECT 塩野義製薬株式会社 2016-03-03 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-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAA1, PRKAA2, PRKAG1 GRM4 2255/4885RXRA 893/4885GRIN1 1126/4885

“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.