SCHEMBL4126674

SCHEMBL4126674

CC=Cc1c(NCCc2ccc(C#N)cc2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
GPR119 Q8TDV5 12/20 0.39
CETP P11597 2/20 0.38
ACHE P22303 1/20 0.38
JAK2 O60674 2/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
FAAH O00519 1/20 0.34

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
SCHEMBL4129994 0.94 GPR119 (0.39) CCNCCDK8GPR119CETPACHE
SCHEMBL4129996 0.94 GPR119 (0.39) CCNCCDK8GPR119CETPACHE
SCHEMBL4136758 0.85 GPR119 (0.38) GPR119CETPACHEJAK2JAK3
SCHEMBL4126669 0.85 GPR119 (0.38) GPR119CETPACHEJAK2JAK3
SCHEMBL4121931 0.85 GPR119 (0.44) GPR119CETPACHEFAAH
SCHEMBL4121939 0.85 GPR119 (0.44) GPR119CETPACHEFAAH
SCHEMBL4126112 0.85 GPR119 (0.44) GPR119CETPACHEFAAH
SCHEMBL4119583 0.84 TGFBR1 (0.42) GPR119CETPACHEFAAH
SCHEMBL4119577 0.84 TGFBR1 (0.42) GPR119CETPACHEFAAH
SCHEMBL4121315 0.84 TGFBR1 (0.42) GPR119CETPACHEFAAH

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-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 CCNC 2748/4885CDK8 2282/4885GPR119 122/4885

“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.