Sugi Predict

Sugi Predict / Compounds / SCHEMBL904751

SCHEMBL904751

SCHEMBL904751

Cn1ncc2cc(CN)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.54
▸ TCF7 P36402 1/20 0.54
▸ MPO P05164 1/20 0.50
▸ KDM1A O60341 1/20 0.45
▸ CDC7 O00311 1/20 0.43
▸ TRPM5 Q9NZQ8 1/20 0.43
▸ CCNC P24863 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ PASK Q96RG2 1/20 0.43
▸ CDK19 Q9BWU1 1/20 0.43
▸ CACNA1H O95180 7/20 0.43
▸ DRD4 P21917 3/20 0.43
▸ SIGMAR1 Q99720 3/20 0.43
▸ TMEM97 Q5BJF2 2/20 0.43
▸ TRPA1 O75762 1/20 0.42
▸ CACNA1G O43497 3/20 0.40
▸ CACNA1I Q9P0X4 3/20 0.40
▸ PDE1C Q14123 1/20 0.40
▸ VNN1 O95497 1/20 0.40

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
SCHEMBL29728749 1.00 CTNNB1 (0.54) CTNNB1TCF7MPOKDM1ACDC7
SCHEMBL31097199 0.88 CTNNB1 (0.44) CTNNB1TCF7MPOKDM1ACDC7
SCHEMBL904805 0.87 MPO (0.49) CTNNB1TCF7MPOKDM1ACCNC
SCHEMBL29585470 0.87 MPO (0.49) CTNNB1TCF7MPOKDM1ACCNC
SCHEMBL13476250 0.86 CTNNB1 (0.58) CTNNB1TCF7MPOCDC7TRPM5
SCHEMBL31638220 0.86 CTNNB1 (0.58) CTNNB1TCF7MPOCDC7TRPM5
SCHEMBL8179108 0.84 CTNNB1 (0.55) CTNNB1TCF7MPOCDC7TRPM5
SCHEMBL6340738 0.83 CTNNB1 (0.56) CTNNB1TCF7MPOKDM1ACDC7
SCHEMBL21770459 0.82 CTNNB1 (0.54) CTNNB1TCF7MPOCDC7TRPM5
SCHEMBL15333416 0.82 CTNNB1 (0.54) CTNNB1TCF7MPOCDC7TRPM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294498-A1 FACTOR XIIA INHIBITORS LUNAC THERAPEUTICS LTD (GB) 2024-09-05 — — US disclosed
US-20240287003-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION UNIVERSITE EUROMEDITERRANEENNE DE FES (MA) 2024-08-29 — — US disclosed
US-20240270757-A1 SPIROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2024-08-15 — — US disclosed
CN-118043316-A Factor XIIa inhibitors 卢纳克治疗有限公司 2024-05-14 — — CN disclosed
EP-4347578-A1 FACTOR XIIA INHIBITORS Lunac Therpeutics Ltd (GB) 2024-04-10 — — EP disclosed
US-11939344-B2 Spirocyclic compounds ASTRAZENECA AB (SE) 2024-03-26 — — US disclosed
US-20230357279-A1 SPIROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2023-11-09 — — US disclosed
WO-2022248883-A1 FACTOR XIIA INHIBITORS LUNAC THERAPEUTICS LTD (GB) 2022-12-01 — — WO disclosed
EP-4017586-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 — — EP disclosed
CN-114269431-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-04-01 — — CN disclosed
US-8829026-B2 Sulfamoyl benzoic acid heterobicyclic derivatives as TRPM8 antagonists RAQUALIA PHARMA INC. (JP) 2014-09-09 — — US disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 — — EP disclosed
US-20130210858-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2013-08-15 — — US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 — — WO disclosed
WO-2012042915-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-05 — — WO disclosed
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 — — US disclosed
US-6376499-B1 PIPERAZINE-AMIDE COMPOUND WITH ANTICOAGULANT ACTIVITY MERCK & CO., INC. 2002-04-23 — — US disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 — — EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 — — EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 — — 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-20240270757-A1 SPIROCYCLIC COMPOUNDS PKD1, PKD2, CCNI CTNNB1 532/4885TCF7 612/4885MPO 4345/4885
US-20240287003-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION ACE2, ACE, TMPRSS2 CTNNB1 3279/4885TCF7 4107/4885MPO 275/4885
US-11939344-B2 Spirocyclic compounds PKD1, PKD2, NR5A1 CTNNB1 566/4885TCF7 648/4885MPO 4478/4885
US-20240294498-A1 FACTOR XIIA INHIBITORS F11, F13B, F7 CTNNB1 4363/4885TCF7 286/4885MPO 608/4885
US-20130210858-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM6, TRPM5 CTNNB1 3609/4885TCF7 3831/4885MPO 4176/4885
US-20230357279-A1 SPIROCYCLIC COMPOUNDS PKD1, PKD2, CCNI CTNNB1 532/4885TCF7 612/4885MPO 4345/4885

“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.