SCHEMBL5486776

SCHEMBL5486776

CCOC1CCN(c2nc(C)nc3cc(OCc4ccc(C#N)cc4)ccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
PDE10A Q9Y233 2/20 0.43
ENPP1 P22413 1/20 0.40
MAOB P27338 5/20 0.40
PRKDC P78527 2/20 0.39
DRD4 P21917 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KCNH2 Q12809 2/20 0.38
CYP3A4 P08684 1/20 0.38
SCN7A Q01118 1/20 0.38
HRH3 Q9Y5N1 3/20 0.36
SPHK2 Q9NRA0 1/20 0.36
MAOA P21397 3/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5486775 1.00 PDE3B (0.43) PDE3BPDE3APDE10AENPP1MAOB
SCHEMBL5486348 0.88 ENPP1 (0.43) PDE3BPDE3APDE10AENPP1MAOB
SCHEMBL5486343 0.88 ENPP1 (0.43) PDE3BPDE3APDE10AENPP1MAOB
SCHEMBL5036288 0.86 MAOB (0.40) PDE3BPDE3APDE10AMAOBPRKDC
SCHEMBL5036285 0.86 MAOB (0.40) PDE3BPDE3APDE10AMAOBPRKDC
Hydrochloric Acid SCHEMBL5485971 0.86 ENPP1 (0.43) PDE3BPDE3APDE10AENPP1MAOB
Hydrochloric Acid SCHEMBL5485968 0.86 ENPP1 (0.43) PDE3BPDE3APDE10AENPP1MAOB
Hydrochloric Acid SCHEMBL6377291 0.85 MAOB (0.39) PDE3BPDE3APDE10AMAOBPRKDC
Hydrochloric Acid SCHEMBL5040524 0.85 MAOB (0.39) PDE3BPDE3APDE10AMAOBPRKDC
SCHEMBL5486974 0.83 MAOB (0.47) ENPP1MAOBPRKDCKCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205309-B2 Quinazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US claimed
EP-1560816-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP claimed
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 US claimed
WO-2004005265-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO claimed
US-7205309-B2 Quinazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
EP-1560816-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 US disclosed
WO-2004005265-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 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 (1 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-20040029901-A1 Quinazoline derivatives GPR119, NQO2, CYP7A1 PDE3B 298/4885PDE3A 243/4885PDE10A 1691/4885

“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.