SCHEMBL1946777

SCHEMBL1946777

Cn1c(=O)[nH]c(N)c(N=O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
CASP6 P55212 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
CDK1 P06493 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
TPI1 P60174 1/20 0.33

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
SCHEMBL1546666 0.77 MAPT (0.45) ALDH1A1CYP2D6CYP2C19CASP6SMN1; SMN2
SCHEMBL14099178 0.76 CDK1 (0.33) CASP6CDK1CDK4CDK2
SCHEMBL1947071 0.76 POLB (0.35) ALDH1A1CYP2D6CYP2C19CASP6SMN1; SMN2
SCHEMBL1944878 0.76 MAPT (0.42) ALDH1A1CYP2D6CYP2C19CASP6SMN1; SMN2
SCHEMBL4407466 0.74 G6PD (0.57) ALDH1A1SMN1; SMN2ADORA2AADORA2BADORA3
SCHEMBL7436514 0.74 G6PD (0.57) ALDH1A1SMN1; SMN2ADORA2AADORA2BADORA3
SCHEMBL1945724 0.74 ATM (0.48) ALDH1A1CYP2D6CYP2C19SMN1; SMN2ADORA2A
SCHEMBL1947320 0.74 ADORA2B (0.39) ALDH1A1CYP2D6CYP2C19CASP6ADORA2A
SCHEMBL1945849 0.73 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2ADORA2AADORA2BRXFP1
SCHEMBL1946776 0.73 MAPT (0.43) ALDH1A1CYP2D6CYP2C19SMN1; SMN2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2025-01-30 US disclosed
US-11958854-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2024-04-16 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-20220362381-A1 REMOTELY TRIGGERED THERAPY BAMBU VAULT LLC (US) 2022-11-17 US disclosed
US-20220229065-A1 SENSORS AND METHODS FOR RAPID MICROBIAL DETECTION BAMBU VAULT LLC (US) 2022-07-21 US disclosed
US-20220218878-A1 CONTROLLED HEAT DELIVERY COMPOSITIONS BAMBU VAULT LLC (US) 2022-07-14 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
US-20200390889-A1 REMOTELY TRIGGERED THERAPY BAMBU VAULT LLC (US) 2020-12-17 US disclosed
US-20050038045-A1 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-02-17 US disclosed
WO-2004106337-A1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-12-09 WO disclosed
US-6825349-B2 PURINE DERIVATIVES FOR TREATMENT OF GASTROINTESTINAL DISORDERS, IMMUNOLOGICAL DISORDERS, NEUROLOGICAL DISORDERS CV THERAPEUTICS INC. 2004-11-30 US disclosed
EP-1444233-A2 A 2B? ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-08-11 EP disclosed
US-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 US disclosed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 US disclosed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 WO disclosed
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 EP disclosed
US-5421897-A Applying liquid composition to surface contaminated with lead, solidifying into matrix which sequesters lead, removing matrix GRAWE JOHN (US) 1995-06-06 US disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 US 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 (9 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-20200390889-A1 REMOTELY TRIGGERED THERAPY CD47, IFNG, TLR9 ALDH1A1 3552/4885CYP2D6 4232/4885CYP2C19 4368/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 875/4885CYP2D6 1691/4885CYP2C19 1836/4885
US-20220362381-A1 REMOTELY TRIGGERED THERAPY CD47, HSP90AA1, HSF1 ALDH1A1 1357/4885CYP2D6 3560/4885CYP2C19 2818/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 691/4885CYP2D6 1539/4885CYP2C19 1401/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 691/4885CYP2D6 1539/4885CYP2C19 1401/4885
US-11958854-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 ALDH1A1 1647/4885CYP2D6 2277/4885CYP2C19 3004/4885
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ALDH1A1 1647/4885CYP2D6 2277/4885CYP2C19 3004/4885
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ALDH1A1 1647/4885CYP2D6 2277/4885CYP2C19 3004/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 ALDH1A1 1647/4885CYP2D6 2277/4885CYP2C19 3004/4885

“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.