SCHEMBL3586285

SCHEMBL3586285

COc1ccc(Cn2cc(C(O)(CN3CCC(Oc4ccc(CC(=O)O)cc4)CC3)C(F)(F)F)c3ccc(C#N)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 6/20 0.42
PRKAB2 O43741 4/20 0.42
PRKAG1 P54619 4/20 0.42
PRKAA1 Q13131 4/20 0.42
PRKAG3 Q9UGI9 4/20 0.42
PRKAG2 Q9UGJ0 4/20 0.42
PRKAB1 Q9Y478 4/20 0.42
GPBAR1 Q8TDU6 2/20 0.41
MLNR O43193 1/20 0.40
HRH3 Q9Y5N1 4/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP3A4 P08684 2/20 0.37
HRH1 P35367 2/20 0.36
CCR3 P51677 2/20 0.36
KCNH2 Q12809 2/20 0.36
CHRM4 P08173 1/20 0.35
ALK Q9UM73 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
SCHEMBL13282465 0.94 HRH3 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3586599 0.93 PRKAA2 (0.38) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL16327050 0.92 PRKAA2 (0.40) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL16327013 0.88 HRH3 (0.44) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3596047 0.88 SIGMAR1 (0.40) PRKAA2HRH3MAOAMAOBCHRM4
SCHEMBL3588625 0.88 HRH2 (0.37) GPBAR1
SCHEMBL3589821 0.87 PRKAA2 (0.37) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13254377 0.87 KCNH2 (0.36) PRKAA2HRH1CCR3KCNH2
SCHEMBL3593937 0.87 KDM1A (0.37) PRKAA2GPBAR1MAOAMAOB
SCHEMBL3587512 0.87 GPR6 (0.36) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 PRKAA2 2729/4885PRKAB2 3133/4885PRKAG1 3104/4885

“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.