SCHEMBL17747434

SCHEMBL17747434

COc1ccc(C(=O)c2sc3nc(C)c(C(=O)O)c(-c4ccco4)c3c2N)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 12/20 0.62
▸ ABCC1 P33527 6/20 0.56
▸ CHRM4 P08173 2/20 0.56
▸ MAPT P10636 4/20 0.53
▸ TP53 P04637 1/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ TLR9 Q9NR96 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL16303720 0.90 ABCG2 (0.77) ABCG2ABCC1MAPTL3MBTL1ALDH1A1
SCHEMBL17747465 0.85 ABCG2 (0.76) ABCG2ABCC1CHRM4MAPTKMT2A
SCHEMBL17747435 0.85 ABCG2 (0.83) ABCG2ABCC1CHRM4MAPTKMT2A
SCHEMBL17747445 0.84 ABCG2 (0.68) ABCG2ABCC1CHRM4MAPTKMT2A
SCHEMBL17747482 0.82 ABCG2 (0.77) ABCG2ABCC1CHRM4MAPTKMT2A
SCHEMBL17747472 0.81 ABCG2 (0.75) ABCG2ABCC1CHRM4MAPTKMT2A
SCHEMBL17747489 0.81 ABCG2 (0.64) ABCG2ABCC1MAPTL3MBTL1ALDH1A1
SCHEMBL17747502 0.80 ABCG2 (0.85) ABCG2ABCC1CHRM4MAPTKMT2A
SCHEMBL17747432 0.80 ABCG2 (0.85) ABCG2ABCC1CHRM4MAPTTP53
SCHEMBL17747444 0.80 ABCG2 (0.86) ABCG2ABCC1CHRM4MAPTKMT2A

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-9908893-B2 Thieno [2,3-b] pyridines as multidrug resistance modulators LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2018-03-06 — — US disclosed
US-20160137664-A1 THIENO [2,3-b] PYRIDINES AS MULTIDRUG RESISTANCE MODULATORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-05-19 — — 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-20160137664-A1 THIENO [2,3-b] PYRIDINES AS MULTIDRUG RESISTANCE MODULATORS ABCC1, ABCB1, MT-CO1 ABCG2 223/4885ABCC1 1/4885CHRM4 874/4885

“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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