SCHEMBL21813402

SCHEMBL21813402

COC(=O)c1csc2c(C(F)F)cc(Cl)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NQO2 P16083 4/20 0.34
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ MET P08581 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ TUBB4A P04350 1/20 0.31

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
SCHEMBL29560681 0.82 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1NQO2POLB
SCHEMBL21813838 0.82 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1NQO2POLB
SCHEMBL19554465 0.81 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1NQO2POLB
SCHEMBL21813966 0.80 KDM4E (0.52) KDM4EMAPT
SCHEMBL27319832 0.73 NQO2 (0.39) KDM4ESMN1; SMN2ALDH1A1NQO2MAPT
SCHEMBL29559836 0.73 NQO2 (0.39) KDM4ESMN1; SMN2ALDH1A1NQO2MAPT
SCHEMBL19555158 0.70 KDM4E (0.39) KDM4ESMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL19554583 0.70 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL21814039 0.69 KDM4E (0.41) KDM4EALDH1A1NQO2POLBMAPT
SCHEMBL18072344 0.69 KDM4E (0.38) KDM4ESMN1; SMN2ALDH1A1NQO2POLB

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
CN-113423711-B Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof 建新公司 2024-03-15 — — CN disclosed
US-20200102324-A1 UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE GENZYME CORPORATION 2020-04-02 — — US disclosed
US-20200102324-A1 UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE GENZYME CORPORATION 2020-04-02 — — 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-20200102324-A1 UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE MAN2B1, GAA, GBA1 KDM4E 647/4885SMN1; SMN2 552/4885ALDH1A1 509/4885

“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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