Sugi Predict

Sugi Predict / Compounds / SCHEMBL6705972

SCHEMBL6705972

SCHEMBL6705972

COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 1.00
▸ TSHR P16473 2/20 0.76
▸ GRIA3 P42263 1/20 0.71
▸ GRIA4 P48058 1/20 0.71
▸ USP2 O75604 4/20 0.68
▸ POLB P06746 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ KDM4E B2RXH2 2/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ HPGD P15428 2/20 0.64
▸ GLA P06280 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ MAPT P10636 2/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ TP53 P04637 2/20 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
SCHEMBL6705726 0.88 ALDH1A1 (0.81) ALDH1A1TSHRGRIA3GRIA4USP2
SCHEMBL6705949 0.88 ALDH1A1 (0.81) ALDH1A1TSHRGRIA3GRIA4USP2
SCHEMBL6705768 0.88 ALDH1A1 (0.78) ALDH1A1TSHRGRIA3GRIA4USP2
SCHEMBL28669991 0.87 ALDH1A1 (0.79) ALDH1A1TSHRGRIA3GRIA4USP2
SCHEMBL6706698 0.87 ALDH1A1 (0.79) ALDH1A1TSHRGRIA3GRIA4USP2
SCHEMBL6706684 0.87 ALDH1A1 (0.79) ALDH1A1TSHRGRIA3GRIA4USP2
SCHEMBL6706803 0.87 ALDH1A1 (0.79) ALDH1A1TSHRGRIA3GRIA4USP2
SCHEMBL6705943 0.87 ALDH1A1 (0.79) ALDH1A1TSHRGRIA3GRIA4USP2
SCHEMBL6705746 0.86 ALDH1A1 (1.00) ALDH1A1TSHRGRIA3GRIA4USP2
SCHEMBL6705779 0.85 ALDH1A1 (0.76) ALDH1A1TSHRGRIA3GRIA4USP2

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
CN-113620919-B Mechanical ball milling assisted synthesis method of 2-amino-3-cyano-4H-pyran compound 浙江工业大学 2023-12-12 — — CN disclosed
CN-113620919-A Mechanical ball-milling auxiliary synthesis method of 2-amino-3-cyano-4H-pyran compounds 浙江工业大学 2021-11-09 — — CN disclosed
US-6800657-B2 TREATING DISORDER RESPONSIVE TO POSITIVE MODULATION OF AMPA RECEPTORS IN ANIMALS EURO-CELTIQUE S.A. (LU) 2004-10-05 — — US disclosed
US-20040097581-A1 SUBSTITUTED 5-OXO-5, 6, 7, 8-TETRAHYDRO-4H-1-BENZOPYRANS KONKOY CHRISTOPHER S (US) 2004-05-20 — — US disclosed
US-6680332-B1 NEURODEGENERATIVE, ALZHEIMER*S, PARKINSON*S, AND HUNTINGTON*S DISEASE; AMYOTROPHIC LATERAL SCLEROSIS, AIDS-ASSOCIATED DEMENTIA, DOWN SYNDROME AND SCHIZOPHRENIA EURO-CELTIQUE S.A. (LU) 2004-01-20 — — US disclosed
EP-1189896-A1 SUBSTITUTED 5-OXO-5,6,7,8-TETRAHYDRO-4H-1-BENZOPYRANS AND BENZOTHIOPYRANS AND THE USE THEREOF AS POTENTIATORS OF AMPA Euro-Celtique S.A. (LU) 2002-03-27 — — EP disclosed
WO-2000075123-A1 SUBSTITUTED 5-OXO-5,6,7,8-TETRAHYDRO-4H-1-BENZOPYRANS AND BENZOTHIOPYRANS AND THE USE THEREOF AS POTENTIATORS OF AMPA EURO-CELTIQUE S.A. (LU) 2000-12-14 — — 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 (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-20040097581-A1 SUBSTITUTED 5-OXO-5, 6, 7, 8-TETRAHYDRO-4H-1-BENZOPYRANS GRIN3A, GRIN1, CHRNA6 ALDH1A1 2597/4885TSHR 318/4885GRIA3 42/4885

“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.