SCHEMBL3059301

SCHEMBL3059301

COc1ccc(CN2CCN(C(=O)c3cc4c(C)c(Oc5ccc(N(C)C(=O)c6ccc(C(F)(F)F)cc6)cn5)ccc4n3C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 13/20 0.52
PRKAA2 P54646 7/20 0.49
PIK3CA P42336 2/20 0.49
PRKAB2 O43741 5/20 0.48
PRKAG1 P54619 5/20 0.48
PRKAA1 Q13131 5/20 0.48
PRKAG3 Q9UGI9 5/20 0.48
PRKAG2 Q9UGJ0 5/20 0.48
PRKAB1 Q9Y478 5/20 0.48

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
Bromide SCHEMBL3056431 0.94 STAT3 (0.47) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
SCHEMBL3067020 0.93 STAT3 (0.46) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
Bromide SCHEMBL3047165 0.93 STAT3 (0.46) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
Bromide SCHEMBL3058139 0.93 STAT3 (0.46) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
SCHEMBL10181013 0.92 PRKAA2 (0.46) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
Oxalic Acid SCHEMBL3061310 0.91 STAT3 (0.51) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
Bromide SCHEMBL3062620 0.91 PRKAA2 (0.46) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
Bromide SCHEMBL3055979 0.91 PRKAA2 (0.45) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
SCHEMBL10181050 0.89 STAT3 (0.59) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
SCHEMBL3063958 0.88 PRKAA2 (0.55) STAT3PRKAA2PIK3CAPRKAB2PRKAG1

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-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 STAT3 1499/4885PRKAA2 4297/4885PIK3CA 3582/4885

“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.