SCHEMBL3056747

SCHEMBL3056747

Cn1c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc2cccc(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3)c21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 9/20 0.48
PRKAA2 P54646 8/20 0.47
PIK3CA P42336 4/20 0.47
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
HIF1A Q16665 3/20 0.44
EPAS1 Q99814 3/20 0.44

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
SCHEMBL3059370 0.91 STAT3 (0.55) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
SCHEMBL3056623 0.90 PRKAA2 (0.47) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
Bromide SCHEMBL3057059 0.89 PRKAA2 (0.46) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
SCHEMBL3052464 0.87 STAT3 (0.62) STAT3
SCHEMBL3061650 0.86 SCN9A (0.51) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
Maleic Acid SCHEMBL3058191 0.85 STAT3 (0.52) STAT3PRKAA2PIK3CA
Fumaric Acid SCHEMBL3058193 0.85 STAT3 (0.52) STAT3PRKAA2PIK3CA
SCHEMBL3055399 0.80 STAT3 (0.55) STAT3PRKAA2PIK3CAPRKAB2PRKAG1
SCHEMBL15295462 0.80 STAT3 (0.63) STAT3
SCHEMBL15295461 0.80 STAT3 (0.70) STAT3

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.