Sugi Predict

Sugi Predict / Compounds / SCHEMBL554897

SCHEMBL554897

SCHEMBL554897

O=c1[nH]c(=O)c2c(ncn2Cc2ccccc2)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNOT7 Q9UIV1 4/20 0.61
▸ PARN O95453 1/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ GDA Q9Y2T3 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ BRD4 O60885 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ DPP4 P27487 1/20 0.49
▸ PNP P00491 2/20 0.48
▸ ADORA2B P29275 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL9708586 0.92 CNOT7 (0.53) CNOT7PARNSMN1; SMN2ALDH1A1GDA
SCHEMBL16028459 0.87 BRD4 (0.50) CNOT7PARNSMN1; SMN2ALDH1A1GDA
SCHEMBL22800917 0.81 LMNA (0.46) CNOT7PARNALDH1A1GDAKMT2A
Hydrochloric Acid SCHEMBL7017127 0.79 VNN1 (0.44) CNOT7PARNSMN1; SMN2ALDH1A1GDA
SCHEMBL8798601 0.78 CNOT7 (0.76) CNOT7PARNSMN1; SMN2ALDH1A1HPGD
SCHEMBL555561 0.78 TP53 (0.45) CNOT7PARNSMN1; SMN2ALDH1A1GDA
SCHEMBL9708858 0.78 CNOT7 (0.40) CNOT7PARNSMN1; SMN2ALDH1A1GDA
SCHEMBL6360069 0.77 PNP (0.58) CNOT7PARNSMN1; SMN2ALDH1A1HPGD
SCHEMBL5512566 0.76 GDA (0.57) CNOT7PARNALDH1A1GDABRD4
SCHEMBL9197448 0.76 GDA (0.57) CNOT7PARNALDH1A1GDABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894410-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2023-10-11 — — EP disclosed
EP-4233871-A2 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL Eli Lilly and Company (US) 2023-08-30 — — EP disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 — — US disclosed
US-20220380370-A1 XANTHINE CB1 INHIBITORS GFB (ABC), LLC 2022-12-01 — — US disclosed
EP-4034101-A1 XANTHINE CB1 INHIBITORS Goldfinch Bio, Inc. (US) 2022-08-03 — — EP disclosed
CN-114727983-A Xanthine CB1 inhibitors 金翅雀生物公司 2022-07-08 — — CN disclosed
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-09 — — US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 — — US disclosed
EP-3652176-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2021-12-15 — — EP disclosed
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-14 — — US disclosed
EP-0654033-A1 ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES BOEHRINGER INGELHEIM KG (DE) 1995-05-24 — — EP disclosed
CN-1026112-C Process of preparing hydroxyalkylxanthines and medicines containing them and uses thereof HOECHST AG (DE) 1994-10-05 — — CN disclosed
CN-1086818-A The xanthine of asymmetric replacement BOEHRINGER INGELHEIM KG (DE) 1994-05-18 — — CN disclosed
WO-1994003456-A1 ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES BOEHRINGER INGELHEIM KG (DE) 1994-02-17 — — WO disclosed
EP-0487673-A1 NEW XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1992-06-03 — — EP disclosed
WO-1992000297-A1 NEW XANTHINE DERIVATIVES BOEHRINGER INGELHEIM KG (DE) 1992-01-09 — — WO disclosed
EP-0268585-B1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 — — EP disclosed
US-4833146-A BRAINS, BLOOD DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-23 — — US disclosed
EP-0268585-A1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF. HOECHST AG (DE) 1988-06-01 — — EP disclosed
WO-1987000523-A2 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-29 — — 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 (5 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-20220380370-A1 XANTHINE CB1 INHIBITORS CNR1, GPR119, CNR2 CNOT7 2082/4885PARN 2179/4885SMN1; SMN2 2516/4885
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 CNOT7 1041/4885PARN 1953/4885SMN1; SMN2 1307/4885
US-11198696-B2 Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity TRPC5, TRPM5, TRPC4 CNOT7 2057/4885PARN 3202/4885SMN1; SMN2 3424/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 CNOT7 1041/4885PARN 1953/4885SMN1; SMN2 1307/4885
US-20220177479-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 CNOT7 1924/4885PARN 3817/4885SMN1; SMN2 1473/4885

“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.