Sugi Predict

Sugi Predict / Compounds / SCHEMBL24969606

SCHEMBL24969606

SCHEMBL24969606

COC(=O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1[C@@H](C)CO[C@@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A2 O15244 5/20 0.41
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ USP2 O75604 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34

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
SCHEMBL24969604 0.92 SLC22A2 (0.39) SLC22A2LMNACYP3A4TMEM97ABCG2
SCHEMBL18473857 0.91 SLC22A2 (0.50) SLC22A2LMNAHPGDHSD17B10USP2
SCHEMBL20822009 0.91 SLC22A2 (0.50) SLC22A2LMNAHPGDHSD17B10USP2
SCHEMBL19850956 0.91 SLC22A2 (0.50) SLC22A2LMNAHPGDHSD17B10USP2
SCHEMBL19849983 0.85 LMNA (0.36) SLC22A2LMNAHPGDHSD17B10USP2
SCHEMBL82203 0.84 SLC22A2 (0.49) SLC22A2LMNACYP3A4TMEM97ABCG2
SCHEMBL2161654 0.84 GRM2 (0.36) SLC22A2LMNAHPGDALDH1A1THRB
SCHEMBL21780072 0.84 GRM2 (0.36) SLC22A2LMNAHPGDALDH1A1THRB
SCHEMBL20015194 0.84 LMNA (0.41) LMNAHPGDHSD17B10USP2ALDH1A1
SCHEMBL19755592 0.83 SLC22A2 (0.43) SLC22A2CYP3A4TMEM97ABCG2

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-20230020329-A1 Annelated 9-hydroxy-1,8-dioxo-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrazine-7-carboxamides as HIV integrase inhibitors, methods of preparation and application thereof Ivachtchenko Alexandrovna Alena (US) 2023-01-19 — — US disclosed
US-20230020329-A1 Annelated 9-hydroxy-1,8-dioxo-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrazine-7-carboxamides as HIV integrase inhibitors, methods of preparation and application thereof Ivachtchenko Alexandrovna Alena (US) 2023-01-19 — — US disclosed
EP-3978503-A1 ANNELATED 9-HYDROXY-1,8-DIOXO-1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-a]PYRAZINE-7-CARBOXAMIDES AS HIV INTEGRASE INHIBITORS Ivachtchenko, Alena Alexandrovna (US) 2022-04-06 — — EP 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-20230020329-A1 Annelated 9-hydroxy-1,8-dioxo-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrazine-7-carboxamides as HIV integrase inhibitors, methods of preparation and application thereof CDK9, DPYD, INTS9 SLC22A2 3786/4885LMNA 3405/4885HPGD 1036/4885

“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.