SCHEMBL514941

SCHEMBL514941

Cc1cc2c(Cl)ncnc2n1C1CCN(C(=O)OC(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.40
CYP2C9 P11712 2/20 0.39
KCNH2 Q12809 1/20 0.39
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL514777 0.80 GPR119 (0.43) GPR119CYP2C9KCNH2
SCHEMBL304441 0.80 NR3C1 (0.50) GPR119CYP2C9KCNH2PIK3CAMTOR
SCHEMBL1128411 0.77 NR3C1 (0.49) GPR119
SCHEMBL514774 0.74 GPR119 (0.61) GPR119CYP2C9KCNH2
SCHEMBL355610 0.74 GPR119 (0.42) GPR119CYP2C9KCNH2
SCHEMBL288948 0.71 GPR119 (0.65) GPR119CYP2C9
SCHEMBL1901216 0.70 GPR119 (0.51) GPR119CYP2C9
SCHEMBL14927795 0.70 GPR119 (0.51) GPR119CYP2C9KCNH2
SCHEMBL1449700 0.69 PIK3R1 (0.41) GPR119PIK3CA
SCHEMBL1449722 0.69 TNF (0.46) GPR119CYP2C9

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-8410089-B2 Fused heterocyclic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
US-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
EP-2399914-A1 FUSED HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-12-28 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-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND GPR119, GPR4, GPR84 GPR119 1/4885CYP2C9 1210/4885KCNH2 850/4885

“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.