SCHEMBL21567313

SCHEMBL21567313

CC(C)(C)Nc1ncnc2ccsc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.51
▸ PDE4B Q07343 1/20 0.51
▸ PDE4C Q08493 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ PDE3B Q13370 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ PIP4K2C Q8TBX8 1/20 0.50
▸ IRAK4 Q9NWZ3 1/20 0.50
▸ AXL P30530 1/20 0.49
▸ MKNK1 Q9BUB5 1/20 0.49
▸ MKNK2 Q9HBH9 1/20 0.49
▸ EGFR P00533 2/20 0.48
▸ FADS1 O60427 1/20 0.48
▸ CD38 P28907 1/20 0.46
▸ FLT1 P17948 1/20 0.44
▸ HTR2C P28335 1/20 0.42
▸ SYK P43405 1/20 0.41
▸ AURKB Q96GD4 4/20 0.41
▸ AURKA O14965 2/20 0.41
▸ BRAF P15056 1/20 0.41

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
SCHEMBL30808036 0.80 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL18878177 0.80 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2878014 0.77 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL22593285 0.77 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30715844 0.76 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30715861 0.76 PDE4B (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
Hydrochloric Acid SCHEMBL5642444 0.75 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL13653497 0.73 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL4569215 0.73 AXL (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5455935 0.72 EGFR (0.62) PDE4APDE4BPDE4CPDE4DPDE3B

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-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2023-11-02 — — US disclosed
US-20190345157-A1 COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-14 — — 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-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO PDE4A 2407/4885PDE4B 2583/4885PDE4C 1948/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 PDE4A 1803/4885PDE4B 1397/4885PDE4C 1358/4885

“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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