SCHEMBL3603305

SCHEMBL3603305

O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccc2c(c1)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
KLKB1 P03952 1/20 0.47
PRSS1 P07477 1/20 0.47
RPS6KA2 Q15349 5/20 0.46
WNT1 P04628 2/20 0.45
GSK3B P49841 2/20 0.45
DYRK1A Q13627 2/20 0.45
MPO P05164 1/20 0.45
NAMPT P43490 4/20 0.44
ROCK2 O75116 1/20 0.43
RPS6KA3 P51812 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
TAS2R8 Q9NYW2 1/20 0.41

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
Hydrochloric Acid SCHEMBL3609045 0.99 F2 (0.46) F2PLGPLAUPLATKLKB1
SCHEMBL3616757 0.90 F2 (0.49) F2PLGPLAUPLATKLKB1
SCHEMBL3602730 0.88 RPS6KA2 (0.57) F2PLGPLAUPLATKLKB1
SCHEMBL3602632 0.88 SCD5 (0.51) F2PLGPLAUPLATKLKB1
SCHEMBL13504884 0.85 NAMPT (0.60) RPS6KA2NAMPTRPS6KA3ALDH1A1
SCHEMBL13504959 0.85 SCD5 (0.52) RPS6KA2WNT1GSK3BDYRK1ANAMPT
Hydrochloric Acid SCHEMBL3606790 0.84 SCD5 (0.51) RPS6KA2WNT1GSK3BDYRK1ANAMPT
Hydrochloric Acid SCHEMBL3612494 0.84 NAMPT (0.59) RPS6KA2NAMPTRPS6KA3ALDH1A1
SCHEMBL3611274 0.82 NAMPT (0.56) NAMPT
SCHEMBL3608690 0.81 TAS2R8 (0.52) RPS6KA2WNT1GSK3BDYRK1ANAMPT

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-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US claimed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 F2 1314/4885PLG 3005/4885PLAU 3057/4885

“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.