SCHEMBL19090632

SCHEMBL19090632

COc1cccc(C(=O)N2CCc3c(sc4nc(SCC(=O)c5ccccc5)n(C5CC5)c(=O)c34)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 1/20 0.58
▸ MAPT P10636 8/20 0.54
▸ KDM4E B2RXH2 6/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ ALDH1A1 P00352 5/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ BRD3 Q15059 2/20 0.48
▸ PDE4D Q08499 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GRM5 P41594 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CASP1 P29466 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
SCHEMBL19079753 0.91 WEE1 (0.60) WEE1MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL21133119 0.90 WEE1 (0.57) WEE1MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL19079752 0.86 WEE1 (0.57) WEE1MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL19079746 0.83 WEE1 (0.58) WEE1MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL19079747 0.83 KDM4E (0.75) WEE1MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL19079760 0.81 KDM4E (0.64) WEE1MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL19079763 0.79 KDM4E (0.62) WEE1MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL19079736 0.79 PDE4D (0.68) WEE1MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL19079762 0.77 KDM4E (0.57) WEE1MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL19079757 0.76 PDE4D (0.58) WEE1MAPTKDM4EL3MBTL1ALDH1A1

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-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

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 1970/4885MAPT 4761/4885KDM4E 939/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A WEE1 1970/4885MAPT 4761/4885KDM4E 939/4885

“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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