SCHEMBL2734889

SCHEMBL2734889

c1ccc(Cn2nnc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 6/20 1.00
▸ SLC9A1 P19634 5/20 1.00
▸ TDP1 Q9NUW8 1/20 0.77
▸ NPC1 O15118 1/20 0.69
▸ MAPT P10636 1/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ KDM4E B2RXH2 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.68
▸ PTK2 Q05397 1/20 0.67
▸ HCAR3 P49019 1/20 0.60
▸ KCNMA1 Q12791 1/20 0.60

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
SCHEMBL7597659 0.86 GRM2 (0.75) GRM2SLC9A1TDP1KDM4EPTK2
SCHEMBL28345673 0.86 GRM2 (0.75) GRM2SLC9A1TDP1NPC1MAPT
SCHEMBL22000732 0.86 GRM2 (0.75) GRM2SLC9A1TDP1NPC1RAB9A
SCHEMBL16398499 0.86 GRM2 (0.75) GRM2SLC9A1TDP1NPC1MAPT
SCHEMBL16892016 0.83 GRM2 (0.71) GRM2SLC9A1TDP1NPC1MAPT
SCHEMBL5858830 0.83 GRM2 (0.69) GRM2SLC9A1TDP1NPC1MAPT
SCHEMBL7599503 0.82 SLC9A1 (0.69) GRM2SLC9A1TDP1NPC1MAPT
SCHEMBL14809085 0.82 PTK2 (0.72) GRM2SLC9A1TDP1NPC1MAPT
SCHEMBL9303448 0.82 PTK2 (0.72) GRM2SLC9A1TDP1NPC1MAPT
SCHEMBL3428426 0.81 NPC1 (1.00) GRM2SLC9A1TDP1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119563048-A Passivation coating on copper metal surfaces for copper wire bonding applications 北德克萨斯大学 2025-03-04 — — CN claimed
CN-120073071-A Nonaqueous electrolyte and secondary battery 瑞浦兰钧能源股份有限公司 2025-05-30 — — CN disclosed
CN-119563048-A Passivation coating on copper metal surfaces for copper wire bonding applications 北德克萨斯大学 2025-03-04 — — CN disclosed
US-20240174583-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES DOW TECHNOLOGY INVESTMENTS LLC (US) 2024-05-30 — — US disclosed
EP-4347544-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES Dow Technology Investments LLC (US) 2024-04-10 — — EP disclosed
CN-117242047-A Process for the vapor phase hydrogenation of aldehydes 陶氏技术投资有限责任公司 2023-12-15 — — CN disclosed
CN-116162926-A Copper surface antioxidant composition and preparation method thereof 深圳市正天伟科技有限公司 2023-05-26 — — CN disclosed
CN-112645784-B Simple and efficient biaromatic alkyne synthesis method 重庆文理学院 2023-04-21 — — CN disclosed
WO-2022250790-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES DOW TECHNOLOGY INVESTMENTS LLC (US) 2022-12-01 — — WO disclosed
CN-112645784-A Simple and efficient synthetic method of diaryl alkyne 重庆文理学院 2021-04-13 — — CN disclosed
EP-0619297-B1 Fungicides for the control of take-all desease of plants MONSANTO CO (US) 1997-06-18 — — EP disclosed
WO-1997020798-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-06-12 — — WO disclosed
US-5498630-A SUBSTITUTED BENZOTHIOPHENECARBOXAMIDES MONSANTO COMPANY (US) 1996-03-12 — — US disclosed
US-5374701-A Crosslinkable polymers of high strength free of structural defects HAY ALLAN S (CA) 1994-12-20 — — US disclosed
EP-0619297-A1 Fungicides for the control of take-all desease of plants MONSANTO COMPANY (US) 1994-10-12 — — EP disclosed
US-5233046-A DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALLAN S (CA) 1993-08-03 — — US disclosed
WO-1993009079-A1 DIARYLACETYLENES, ENAMINES AND ACETYLENIC POLYMERS AND THEIR PRODUCTION HAY ALAN S (CA) 1993-05-13 — — WO disclosed
WO-1993007751-A1 FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1993-04-29 — — WO disclosed
EP-0538231-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1993-04-21 — — EP disclosed
EP-0395185-A1 Curing catalyst for application in powder coatings DSM N.V. (NL) 1990-10-31 — — 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-20240174583-A1 PROCESSES FOR THE VAPOR PHASE HYDROGENATION OF ALDEHYDES ADH1C, ADH5, ALDH2 GRM2 1950/4885SLC9A1 105/4885TDP1 1008/4885

“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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