SCHEMBL4757623

SCHEMBL4757623

CC(C)Nc1nc2oc3c(NCCCN4CCCC4=O)ncnc3c2c2c1CCC(C)(C)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 1.00
PDE4A P27815 13/20 1.00
PDE4D Q08499 13/20 1.00
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RXFP1 Q9HBX9 1/20 0.43
RAB9A P51151 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4921988 0.92 PDE4B (0.87) PDE4BPDE4APDE4DALDH1A1KDM4E
SCHEMBL4918255 0.92 PDE4B (1.00) PDE4BPDE4APDE4DALDH1A1KDM4E
SCHEMBL4916906 0.91 PDE4B (0.87) PDE4BPDE4APDE4DALDH1A1KDM4E
SCHEMBL4913248 0.89 PDE4B (0.89) PDE4BPDE4APDE4DALDH1A1KDM4E
SCHEMBL4924655 0.88 PDE4B (0.80) PDE4BPDE4APDE4DALDH1A1KDM4E
SCHEMBL4916899 0.88 PDE4B (0.82) PDE4BPDE4APDE4DALDH1A1KDM4E
SCHEMBL4923289 0.86 PDE4B (1.00) PDE4BPDE4APDE4DALDH1A1KDM4E
SCHEMBL4924082 0.86 PDE4B (0.79) PDE4BPDE4APDE4DALDH1A1KDM4E
SCHEMBL4707052 0.82 PDE4B (0.82) PDE4BPDE4APDE4DALDH1A1KDM4E
SCHEMBL4914580 0.82 PDE4B (0.71) PDE4BPDE4APDE4DALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230009902-A1 TREATMENT OF A DISEASE OR CONDITION IN A TISSUE ORGINATING FROM THE ENDODERM GLAS USA LLC 2023-01-12 US disclosed
US-20210031012-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A PDE4 INHIBITOR GLAS USA LLC 2021-02-04 US disclosed
US-20200323772-A1 TREATMENT OF INFLAMMATORY DISEASE USING INGESTIBLE DEVICE TO RELEASE IMMUNE MODULATOR BT BIDCO LLC 2020-10-15 US disclosed
WO-2019246317-A9 TREATMENT OF A DISEASE OR CONDITION IN A TISSUE ORIGINATING FROM THE ENDODERM PROGENITY, INC. (US) 2020-07-16 WO disclosed
WO-2019147824-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A PDE4 INHIBITOR PROGENITY, INC. (US) 2019-08-01 WO disclosed
WO-2019036382-A1 TREATMENT OF INFLAMMATORY DISEASE USING INGESTIBLE DEVICE TO RELEASE IMMUNE MODULATOR PROGENITY INC. (US) 2019-02-21 WO disclosed
US-20080221096-A1 Pyrido[3' ,2':4,5]Furo[3,2-d]Pyrimidine Derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2008-09-11 US disclosed
EP-1913003-A1 NEW PYRIDO[3',2':4,5]FURO[3,2-d]PYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2008-04-23 EP disclosed
WO-2007017078-A1 NEW PYRIDO[3',2':4,5]FURO[3,2-d]PYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 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 (4 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-20210031012-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A PDE4 INHIBITOR PDE4A, PDE12, PDE4B PDE4B 3/4885PDE4A 1/4885PDE4D 5/4885
US-20080221096-A1 Pyrido[3' ,2':4,5]Furo[3,2-d]Pyrimidine Derivatives NR1H2, CBR3, NR4A1 PDE4B 4185/4885PDE4A 3960/4885PDE4D 4404/4885
US-20230009902-A1 TREATMENT OF A DISEASE OR CONDITION IN A TISSUE ORGINATING FROM THE ENDODERM ALPG, ALPP, FABP2 PDE4B 1544/4885PDE4A 1695/4885PDE4D 2296/4885
US-20200323772-A1 TREATMENT OF INFLAMMATORY DISEASE USING INGESTIBLE DEVICE TO RELEASE IMMUNE MODULATOR LRBA, CD47, FABP2 PDE4B 611/4885PDE4A 559/4885PDE4D 943/4885

“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.