SCHEMBL16178586

SCHEMBL16178586

O=Cc1ccc(N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)nc1N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 3/20 0.61
ADRB2 P07550 2/20 0.47
RPS6KB1 P23443 1/20 0.43
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
KCNH2 Q12809 2/20 0.42
AR P10275 1/20 0.42
LIPG Q9Y5X9 2/20 0.40
LIPC P11150 1/20 0.40
MCHR1 Q99705 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
PIK3CA P42336 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL519004 0.76 PRKAA2 (1.00) PRKAA2ADRB2
SCHEMBL12239157 0.71 PRKAA2 (0.64) PRKAA2ADRB2CASP1CASP4CASP5
SCHEMBL1006219 0.70 PRKAA2 (0.62) PRKAA2ADRB2PPARDPPARAHRH3
SCHEMBL12099440 0.69 FFAR1 (0.39) PRKAA2
SCHEMBL29716554 0.69 ADRB2 (0.64) PRKAA2ADRB2HRH3
SCHEMBL10608877 0.69 HRH3 (0.64) ADRB2KCNH2HRH3
SCHEMBL27644534 0.68 PDE2A (0.52)
Hydrochloric Acid SCHEMBL31586806 0.68 ADRB2 (0.63) PRKAA2ADRB2HRH3
SCHEMBL12239156 0.68 PRKAA2 (0.59) PRKAA2ADRB2KCNH2MCHR1HRH3
Hydrochloric Acid SCHEMBL10610506 0.68 SMN1; SMN2 (0.65) ADRB2KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266856-B2 AMPK—activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-02-23 US disclosed
US-20140315884-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2014-10-23 US 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-20140315884-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 PRKAA2 7/4885ADRB2 1357/4885RPS6KB1 51/4885

“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.