SCHEMBL5116339

SCHEMBL5116339

COCCN(C(=O)OC(C)(C)C)c1ncnc2c1ncn2-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 5/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ PI4KA P42356 2/20 0.34
▸ PI4K2B Q8TCG2 2/20 0.34
▸ PI4K2A Q9BTU6 2/20 0.34
▸ PI4KB Q9UBF8 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32

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
SCHEMBL5108617 0.85 GPR119 (0.41) SLC29A1GPR119ALDH1A1MAPTLMNA
SCHEMBL5108620 0.83 SLC29A1 (0.40) SLC29A1GPR119ALDH1A1MAPTLMNA
SCHEMBL20201240 0.72 PI4KA (0.54) GPR119ALDH1A1PI4KAPI4K2BPI4K2A
SCHEMBL19350806 0.72 PI4KA (0.49) SLC29A1GPR119MAPTPI4KAPI4K2B
SCHEMBL5119139 0.72 ALDH1A1 (0.41) SLC29A1ALDH1A1MAPTLMNAMAPK1
SCHEMBL5113159 0.71 ALDH1A1 (0.41) SLC29A1ALDH1A1MAPTLMNAMAPK1
SCHEMBL5108864 0.71 PI4KA (0.46) GPR119PI4KAPI4K2BPI4K2API4KB
SCHEMBL5113119 0.70 PI4KA (0.46) GPR119PI4KAPI4K2BPI4K2API4KB
SCHEMBL5119140 0.70 ALDH1A1 (0.39) SLC29A1ALDH1A1MAPTLMNAMAPK1
SCHEMBL5108869 0.69 PI4KA (0.44) GPR119PI4KAPI4K2BPI4K2API4KB

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-8609656-B2 Heteroarylphenylurea derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-12-17 — — US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 — — US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 — — US disclosed
EP-1724258-A1 HETEROARYLPHENYLUREA DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 — — 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-20080119466-A1 Heteroarylphenylurea Derivative CHRM1, CBR3, CHRM2 SLC29A1 918/4885GPR119 262/4885ALDH1A1 1053/4885

“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.

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