SCHEMBL5113159

SCHEMBL5113159

CN(C(=O)OC(C)(C)C)c1ncnc2ncn(-c3ccc([N+](=O)[O-])cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ SLC29A1 Q99808 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NR1D1 P20393 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ HTT P42858 2/20 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
SCHEMBL5119139 0.91 ALDH1A1 (0.41) ALDH1A1MAPK1LMNAMAPTGABRA1
SCHEMBL5117930 0.85 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL5108617 0.77 GPR119 (0.41) ALDH1A1MAPK1LMNAMAPTGABRA1
SCHEMBL5109210 0.76 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL5108620 0.74 SLC29A1 (0.40) ALDH1A1MAPK1LMNAMAPTGABRA1
SCHEMBL19350815 0.72 ACHE (0.40) ALDH1A1LMNAMAPTSMN1; SMN2TDP1
SCHEMBL5116339 0.71 SLC29A1 (0.39) ALDH1A1MAPK1LMNAMAPTGABRA1
SCHEMBL380709 0.70 ALDH1A1 (0.57) ALDH1A1MAPK1LMNAMAPTGAA
SCHEMBL5113119 0.69 PI4KA (0.46) —
SCHEMBL477465 0.67 CYP2C19 (0.50) ALDH1A1LMNAMAPTGAASMN1; SMN2

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-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
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 ALDH1A1 1053/4885MAPK1 485/4885LMNA 3842/4885

“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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