SCHEMBL5117930

SCHEMBL5117930

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ JAK3 P52333 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ GRM1 Q13255 6/20 0.31
▸ GRM5 P41594 4/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PI4K2B Q8TCG2 1/20 0.31
▸ PI4K2A Q9BTU6 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ RIPK1 Q13546 1/20 0.30
▸ RIPK3 Q9Y572 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30

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
SCHEMBL5109210 0.90 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2JAK3MKNK1MKNK2
SCHEMBL5109214 0.87 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2MKNK1MKNK2FGFR1
SCHEMBL5113159 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL5113119 0.83 PI4KA (0.46) GRM1GRM5PI4KAPI4K2BPI4K2A
SCHEMBL29623632 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MKNK1MKNK2GRM1
SCHEMBL5119139 0.76 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL14218511 0.75 RIPK1 (0.39) ALDH1A1SMN1; SMN2MKNK1MKNK2GRM1
SCHEMBL5108864 0.75 PI4KA (0.46) GRM1GRM5PI4KAPI4K2BPI4K2A
SCHEMBL5119140 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL5108869 0.72 PI4KA (0.44) GRM1GRM5PI4KAPI4K2BPI4K2A

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
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 — — 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-20080119466-A1 Heteroarylphenylurea Derivative CHRM1, CBR3, CHRM2 ALDH1A1 1053/4885SMN1; SMN2 3265/4885JAK3 877/4885

“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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