Sugi Predict

Sugi Predict / Compounds / SCHEMBL3403552

SCHEMBL3403552

SCHEMBL3403552

O=C1NCCc2nc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ PIM2 Q9P1W9 1/20 0.46
▸ PARP10 Q53GL7 9/20 0.45
▸ PARP1 P09874 4/20 0.45
▸ F7 P08709 1/20 0.45
▸ F3 P13726 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ PARP11 Q9NR21 8/20 0.43
▸ PDPK1 O15530 1/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MAPKAPK2 P49137 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ HIPK2 Q9H2X6 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ ACHE P22303 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
SCHEMBL23649631 0.82 GRM5 (0.46) GRM5PIM1PIM2PARP10PARP1
SCHEMBL13537097 0.81 MKNK2 (0.44) GRM5PIM1PIM2PARP10PARP1
SCHEMBL10008839 0.79 ACHE (0.49) GRM5PARP10PARP1F7F3
SCHEMBL19153633 0.79 PARP10 (0.49) GRM5PARP10PARP1CYP1A2PARP11
SCHEMBL30130624 0.79 PARP10 (0.49) GRM5PARP10PARP1CYP1A2PARP11
SCHEMBL5264754 0.75 PARP10 (0.47) GRM5PARP10PARP1CYP1A2PARP11
SCHEMBL10008159 0.75 GRM5 (0.53) GRM5PARP10PARP1CYP1A2PARP11
SCHEMBL18237665 0.75 GRM5 (0.43) GRM5PIM1PIM2PARP10PARP1
SCHEMBL31501830 0.75 MAP4K1 (0.45) GRM5PARP10PARP1CYP1A2PARP11
SCHEMBL300231 0.75 GRM5 (0.44) GRM5PARP10PARP1CYP1A2PARP11

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4683919-A1 VANIN-1 INHIBITORS Athos Therapeutics, Inc. (US) 2026-01-28 — — EP disclosed
US-20250353848-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION 2025-11-20 — — US disclosed
US-12331035-B2 Bicyclic compound and use thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2025-06-17 — — US disclosed
US-20250154107-A1 3,4-Dihydroisoquinolin-1(2H)-Ones Derivatives as STING Antagonists and the Use Thereof BEIGENE SWITZERLAND GMBH (CH) 2025-05-15 — — US disclosed
CN-119855589-A Heterocyclic PAD4 inhibitors 细胞基因公司 2025-04-18 — — CN disclosed
CN-115279771-B MAP4K1 inhibitors 缆图药品公司 2025-03-21 — — CN disclosed
US-20250066353-A1 VANIN-1 INHIBITORS ATHOS THERAPEUTICS INC (US) 2025-02-27 — — US disclosed
EP-4050006-B1 BICYCLIC COMPOUND AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2025-01-01 — — EP disclosed
EP-4448513-A1 3, 4-DIHYDROISOQUINOLIN-1 (2H) -ONES DERIVATIVES AS STING ANTAGONISTS AND THE USE THEREOF BeiGene Switzerland GmbH (CH) 2024-10-23 — — EP disclosed
WO-2024196841-A1 VANIN-1 INHIBITORS ATHOS THERAPEUTICS, INC. (US) 2024-09-26 — — WO disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 — — US disclosed
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-06 — — US disclosed
WO-2013079452-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 — — WO disclosed
WO-2013079452-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 — — WO disclosed
US-20120172391-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-07-05 — — US disclosed
US-20120172391-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-07-05 — — US disclosed
US-20120172391-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-07-05 — — US disclosed
WO-2012092530-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS VANDERBILT UNIVERSITY (US) 2012-07-05 — — WO disclosed
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 — — WO disclosed
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 — — 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 (6 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-20250353848-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI1, PADI6 GRM5 2549/4885PIM1 1766/4885PIM2 2075/4885
US-20250066353-A1 VANIN-1 INHIBITORS VCAM1, TMBIM6, VNN1 GRM5 2569/4885PIM1 1520/4885PIM2 1962/4885
US-20130143863-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 GRM5 1504/4885PIM1 3881/4885PIM2 4427/4885
US-12331035-B2 Bicyclic compound and use thereof PRMT5, PRMT6, PRMT1 GRM5 113/4885PIM1 560/4885PIM2 624/4885
US-20120172391-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS GRM5, GRIK5, GRM1 GRM5 1/4885PIM1 3336/4885PIM2 3337/4885
US-20250154107-A1 3,4-Dihydroisoquinolin-1(2H)-Ones Derivatives as STING Antagonists and the Use Thereof STING1, IRF3, MAVS GRM5 3738/4885PIM1 3318/4885PIM2 2657/4885

“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.