SCHEMBL17747462

SCHEMBL17747462

COc1cc(-c2c(C(=O)O)c(C)nc3sc(C(=O)c4ccc5ccccc5c4)c(N)c23)cc(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 17/20 0.72
▸ ABCC1 P33527 9/20 0.72
▸ PIM1 P11309 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL16303815 0.92 ABCG2 (0.72) ABCG2ABCC1PIM1KDRKDM4E
SCHEMBL17747440 0.92 ABCG2 (0.82) ABCG2ABCC1PIM1KDRKDM4E
SCHEMBL17747444 0.91 ABCG2 (0.86) ABCG2ABCC1PIM1KDRALDH1A1
SCHEMBL17747473 0.90 ABCG2 (0.72) ABCG2ABCC1KDM4EALDH1A1CHRM4
SCHEMBL17747459 0.89 ABCG2 (0.73) ABCG2ABCC1PIM1KDRMAPT
SCHEMBL17755511 0.88 ABCG2 (0.67) ABCG2ABCC1PIM1KDRKDM4E
SCHEMBL17747430 0.88 ABCG2 (0.75) ABCG2ABCC1PIM1KDRCHRM4
SCHEMBL17747437 0.88 ABCG2 (0.75) ABCG2ABCC1PIM1KDRALDH1A1
SCHEMBL17747471 0.84 ABCG2 (0.81) ABCG2ABCC1KDM4EALDH1A1MAPT
SCHEMBL17747436 0.84 ABCG2 (1.00) ABCG2ABCC1PIM1KDRALDH1A1

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 1/4885PIM1 2367/4885

“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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