SCHEMBL7259678

SCHEMBL7259678

COc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(NC(C)=O)cc4)c4nc(cc5ccc2[nH]5)CC4)C(O)=C3O)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.40
▸ DYRK1A Q13627 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ FYN P06241 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.35
▸ TTK P33981 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ PAX8 Q06710 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ BRAF P15056 1/20 0.34

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
SCHEMBL7257094 0.86 TP53 (0.37) MAPTSMN1; SMN2TP53
SCHEMBL7262924 0.86 TP53 (0.37) MAPTSMN1; SMN2TP53
SCHEMBL7257238 0.83 SMPD3 (0.33) —
SCHEMBL7257922 0.78 STAT3 (0.37) ITKDYRK1ADYRK1BMTNR1AMTNR1B
SCHEMBL7257919 0.76 MTNR1A (0.41) ITKDYRK1ADYRK1BMTNR1AMTNR1B
SCHEMBL7258044 0.71 STAT3 (0.49) ITKDYRK1ADYRK1BMTNR1AMTNR1B
SCHEMBL7257624 0.66 MTNR1A (0.42) ITKDYRK1ADYRK1BMTNR1AMTNR1B
SCHEMBL7262946 0.64 STAT3 (0.40) SMN1; SMN2TP53
SCHEMBL7265156 0.64 MTNR1A (0.53) ITKMTNR1AMTNR1BADORA3SMN1; SMN2
SCHEMBL29349700 0.62 ALDH1A1 (0.72) SLC2A1MAPTSMN1; SMN2TP53

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-20030203888-A1 Chromophores WELLCOME TRUST LIMITED, THE (GB) 2003-10-30 — — US disclosed
EP-1294726-A2 IMPROVEMENTS IN AND RELATING TO CHROMOPHORES Catalyst Biomedica Ltd (GB) 2003-03-26 — — EP disclosed
WO-2002000662-A1 IMPROVEMENTS IN AND RELATING TO CHROMOPHORES CATALYST BIOMEDICA LIMITED (GB) 2002-01-03 — — WO 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-20030203888-A1 Chromophores HCCS, PPOX, HMBS ITK 3102/4885DYRK1A 4396/4885DYRK1B 4250/4885

“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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