SCHEMBL7501078

SCHEMBL7501078

COc1cc2ncnc(NCc3ccc4c(c3)OCO4)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
PDE2A O00408 1/20 0.72
PDE1A P54750 1/20 0.72
PDE1B Q01064 1/20 0.72
PDE1C Q14123 1/20 0.72
CLK4 Q9HAZ1 1/20 0.66
ALDH1A1 P00352 2/20 0.66
KDM4E B2RXH2 2/20 0.66
HTT P42858 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MAPK1 P28482 1/20 0.65
EGFR P00533 1/20 0.64
LMNA P02545 1/20 0.64
HPGD P15428 1/20 0.64

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
SCHEMBL12308055 0.90 PDE5A (0.81) PDE5AMEN1KMT2APDE2APDE1A
SCHEMBL7496314 0.90 PDE5A (1.00) PDE5AMEN1KMT2APDE2APDE1A
SCHEMBL12255994 0.87 PDE5A (0.77) PDE5AMEN1KMT2APDE2APDE1A
SCHEMBL12307384 0.87 PDE5A (0.77) PDE5AMEN1KMT2APDE2APDE1A
SCHEMBL7499068 0.87 PDE5A (1.00) PDE5AMEN1KMT2ACLK4ALDH1A1
SCHEMBL7493999 0.86 PDE5A (0.75) PDE5AMEN1KMT2APDE2APDE1A
SCHEMBL678438 0.86 PDE5A (1.00) PDE5AMEN1KMT2ACLK4ALDH1A1
SCHEMBL30140903 0.86 PDE5A (1.00) PDE5AMEN1KMT2ACLK4ALDH1A1
SCHEMBL31066913 0.86 PDE5A (1.00) PDE5AMEN1KMT2ACLK4ALDH1A1
SCHEMBL492485 0.84 PDE5A (1.00) PDE5AMEN1KMT2APDE2APDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
US-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2012-10-11 US disclosed
EP-0607439-B1 NITROGENOUS HETEROCYCLIC COMPOUND EISAI CO LTD (JP) 2002-01-09 EP disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 US disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 EP disclosed
CN-1071164-A Nitrogen-containing heterocycle compound EISAI CO LTD (JP) 1993-04-21 CN 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 (3 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-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 PDE5A 44/4885MEN1 3315/4885KMT2A 3342/4885
US-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof ATG7, BECN1, SQSTM1 PDE5A 3288/4885MEN1 2998/4885KMT2A 4516/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 PDE5A 44/4885MEN1 3315/4885KMT2A 3342/4885

“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.