SCHEMBL5442192

SCHEMBL5442192

O=C(O)c1ccc(CSc2nc(Nc3ccccc3)n[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
POLB P06746 2/20 0.49
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
CAMK2D Q13557 1/20 0.46
HPGD P15428 5/20 0.46
LMNA P02545 1/20 0.46
METAP2 P50579 2/20 0.46
GAA P10253 2/20 0.46
GFER P55789 2/20 0.46
MAPT P10636 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
METAP1 P53582 1/20 0.45
ACMSD Q8TDX5 1/20 0.45
ALPL P05186 1/20 0.45
APOBEC3A P31941 1/20 0.45

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
SCHEMBL5382906 0.87 METAP2 (0.57) ALDH1A1METAP2GAAGFERMAPT
SCHEMBL5392006 0.85 JAK2 (0.49) POLBHPGDLMNAMETAP2GAA
SCHEMBL5371669 0.84 METAP2 (0.67) ALDH1A1HPGDLMNAMETAP2GAA
SCHEMBL5376519 0.84 METAP2 (0.55) ALDH1A1POLBLMNAMETAP2GAA
SCHEMBL5396887 0.82 KCNH3 (0.54) AURKBMETAP2GAAGFERMAPT
SCHEMBL6225737 0.81 METAP2 (0.48) METAP2GAAGFERMAPTNPC1
SCHEMBL5387245 0.81 AURKA (0.50) AURKAAURKBCAMK2DGAAGFER
SCHEMBL5376453 0.81 TSHR (0.53) HPGDLMNAMETAP2GAAGFER
SCHEMBL5372054 0.81 MAOB (0.50) AURKAMETAP2GAAGFERMAPT
SCHEMBL5378910 0.81 GAA (0.46) POLBHPGDMETAP2GAAGFER

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-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP ALDH1A1 1754/4885POLB 1040/4885AURKA 3272/4885

“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.