SCHEMBL25249437

SCHEMBL25249437

Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2CO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 3/20 0.69
PDE1B Q01064 3/20 0.69
PDE1C Q14123 3/20 0.69
PDE2A O00408 2/20 0.69
MEN1 O00255 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
BLM P54132 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
CYP1A1 P04798 1/20 0.57
NFKB1 P19838 1/20 0.57
MAPK1 P28482 1/20 0.57
PMP22 Q01453 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HIF1A Q16665 1/20 0.57
PDE5A O76074 2/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL9122584 0.82 PDE1A (0.63) PDE1APDE1BPDE1CPDE2AMEN1
SCHEMBL897036 0.82 PDE1A (1.00) PDE1APDE1BPDE1CPDE2AMEN1
SCHEMBL2948025 0.81 PDE1A (0.61) PDE1APDE1BPDE1CPDE2AMEN1
SCHEMBL5688395 0.80 PDE2A (0.60) PDE1APDE1BPDE1CPDE2AMEN1
SCHEMBL461786 0.80 PDE2A (0.62) PDE1APDE1BPDE1CPDE2AMEN1
Verofylline SCHEMBL636856 0.79 PDE1A (0.78) PDE1APDE1BPDE1CPDE2AMEN1
SCHEMBL2472008 0.79 PDE1A (0.61) PDE1APDE1BPDE1CPDE2AMEN1
Water SCHEMBL28799658 0.78 PDE2A (0.60) PDE1APDE1BPDE1CPDE2AMEN1
SCHEMBL18834910 0.78 PDE2A (0.53) PDE1APDE1BPDE1CPDE2AMEN1
SCHEMBL5272642 0.77 CYP2C19 (0.48) PDE1APDE1BPDE1CPDE2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066413-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION METRO INTERNATIONAL BIOTECH, LLC 2025-02-27 US disclosed
EP-4452279-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION Metro International Biotech, LLC (US) 2024-10-30 EP disclosed
US-11878994-B1 Compositions for treatment of inflammation METRO INTERNATIONAL BIOTECH, LLC (US) 2024-01-23 US disclosed
WO-2023122190-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION METRO INTERNATIONAL BIOTECH, LLC (US) 2023-06-29 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 (2 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-20250066413-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION NQO1, NAMPT, MPO PDE1A 2019/4885PDE1B 2282/4885PDE1C 2592/4885
US-11878994-B1 Compositions for treatment of inflammation NQO1, NAMPT, MPO PDE1A 2019/4885PDE1B 2282/4885PDE1C 2592/4885

“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.