SCHEMBL19079765

SCHEMBL19079765

O=C(CSc1nc2sc3c(c2c(=O)n1C1CC1)CCN(Cc1ccco1)C3)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ BRD3 Q15059 12/20 0.53
▸ PDK2 Q15119 1/20 0.53
▸ PDE4D Q08499 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL19079760 0.85 KDM4E (0.64) WEE1KDM4EMAPTL3MBTL1PDK2
SCHEMBL19079746 0.85 WEE1 (0.58) WEE1KDM4EMAPTL3MBTL1BRD3
SCHEMBL19079763 0.84 KDM4E (0.62) WEE1KDM4EMAPTL3MBTL1PDK2
SCHEMBL19079747 0.83 KDM4E (0.75) WEE1KDM4EMAPTL3MBTL1PDE4D
SCHEMBL19079762 0.83 KDM4E (0.57) WEE1KDM4EMAPTL3MBTL1PDK2
SCHEMBL19079736 0.81 PDE4D (0.68) WEE1KDM4EMAPTL3MBTL1PDE4D
SCHEMBL19079752 0.79 WEE1 (0.57) WEE1KDM4EMAPTL3MBTL1BRD3
SCHEMBL21133119 0.78 WEE1 (0.57) WEE1KDM4EMAPTL3MBTL1BRD3
SCHEMBL19079757 0.78 PDE4D (0.58) WEE1KDM4EMAPTL3MBTL1PDE4D
SCHEMBL19079753 0.78 WEE1 (0.60) WEE1KDM4EMAPTL3MBTL1BRD3

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-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase VANDERBILT UNIVERSITY (US) 2019-06-25 — — US disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 — — US disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 — — 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 (2 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-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase PDE4A, PDE4B, PDE7A WEE1 1970/4885KDM4E 939/4885MAPT 4761/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A WEE1 1970/4885KDM4E 939/4885MAPT 4761/4885

“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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