SCHEMBL5140354

SCHEMBL5140354

C=C1NC(=O)C(c2ccc3ncccc3c2)S1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ CLK3 P49761 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ HASPIN Q8TF76 1/20 0.42
▸ DYRK2 Q92630 1/20 0.42
▸ MYLK2 Q9H1R3 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42

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
SCHEMBL4636823 0.83 HDAC3 (0.37) SMN1; SMN2PIK3CDCSNK2A2PIK3CAPIK3CG
SCHEMBL4441519 0.81 EGFR (0.40) PIK3CDPIK3CACA2
SCHEMBL4537397 0.77 NCF1 (0.36) CA2DDB1CRBN
SCHEMBL9828753 0.71 POLB (0.47) POLBSMN1; SMN2MAPK1ALDH1A1PIK3CD
SCHEMBL28286305 0.69 IDO1 (0.57) POLBSMN1; SMN2MAPK1ALDH1A1DYRK1A
SCHEMBL29940279 0.69 IDO1 (0.57) POLBSMN1; SMN2MAPK1ALDH1A1DYRK1A
SCHEMBL22048054 0.68 IDO1 (0.48) POLBSMN1; SMN2MAPK1ALDH1A1PIK3CD
SCHEMBL17672031 0.66 BACE1 (0.55) POLBSMN1; SMN2MAPK1ALDH1A1NPC1
SCHEMBL5584438 0.66 IDO1 (0.52) POLBSMN1; SMN2MAPK1ALDH1A1NPC1
SCHEMBL11460811 0.65 BACE1 (0.58) POLBSMN1; SMN2MAPK1ALDH1A1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 — — 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 POLB 3047/4885SMN1; SMN2 2437/4885MAPK1 1625/4885

“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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