SCHEMBL8798103

SCHEMBL8798103

CCCCn1c(=O)cn[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ PDE4A P27815 5/20 0.41
▸ ADORA2A P29274 5/20 0.41
▸ PDE4B Q07343 5/20 0.41
▸ PDE4C Q08493 5/20 0.41
▸ PDE4D Q08499 5/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ BRD3 Q15059 1/20 0.39
▸ BRDT Q58F21 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ RORA P35398 1/20 0.39
▸ RORC P51449 1/20 0.39

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
SCHEMBL16371030 0.81 ALDH1A1 (0.38) TSHRPDE4AADORA2APDE4BPDE4C
SCHEMBL14761347 0.78 METAP2 (0.38) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL25547801 0.73 ATM (0.42) TSHRPDE4AADORA2APDE4BPDE4C
SCHEMBL19783983 0.69 ALDH1A1 (0.44) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6864608 0.69 TDP1 (0.44) TSHRPDE4AADORA2APDE4BPDE4C
SCHEMBL19783978 0.69 METAP2 (0.39) —
SCHEMBL8175264 0.69 PDE4A (0.52) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8175541 0.68 ADORA2A (0.55) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL1702032 0.68 TSHR (0.55) TSHRPDE4AADORA2APDE4BPDE4C
SCHEMBL9473364 0.68 MAPT (0.47) PDE4AADORA2APDE4BPDE4CPDE4D

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484877-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2020-07-01 — — EP disclosed
US-20190297887-A1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-10-03 — — US disclosed
EP-0687263-B1 PROCESS FOR PREPARING (TRANS)-6- [2-(SUBSTITUTED-PYRROL-1-YL)ALKYL]PYRAN-2-ONE INHIBITORS OF CHOLESTEROL SYNTHESIS WARNER LAMBERT CO (US) 1997-07-30 — — EP disclosed
EP-0707571-B1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PF MEDICAMENT (FR) 1997-05-02 — — EP disclosed
US-5591743-A ANXIOLYTIC DRUGS OR HYPOTENSIVE AGENTS PIERRE FABRE MEDICAMENT (FR) 1997-01-07 — — US disclosed
EP-0707571-A1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PF MEDICAMENT (FR) 1996-04-24 — — EP disclosed
WO-1995001965-A1 3,5-DIOXO-(2H,4H)-1,2,4-TRIAZINE DERIVATIVES AS 5HT1A LIGANDS PIERRE FABRE MEDICAMENT (FR) 1995-01-19 — — WO 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-20190297887-A1 BICYCLIC COMPOUNDS AS PESTICIDES DDT, BCHE, ACHE TSHR 3470/4885PDE4A 1128/4885ADORA2A 3190/4885

“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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