SCHEMBL4761697

SCHEMBL4761697

COC(=O)c1ccc2c(c1)CCN(c1ncnc3cc(OC)c(OC)cc13)C2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.53
BACE1 P56817 2/20 0.53
PDGFRB P09619 12/20 0.52
MAPK7 Q13164 1/20 0.52
PDGFRA P16234 5/20 0.51
KIT P10721 3/20 0.50
ENPP1 P22413 2/20 0.50
FLT3 P36888 2/20 0.50
HTR7 P34969 1/20 0.49
EGFR P00533 1/20 0.49

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
SCHEMBL5356821 0.96 ACHE (0.53) ACHEBACE1PDGFRBMAPK7PDGFRA
SCHEMBL4761417 0.91 ACHE (0.54) ACHEBACE1PDGFRBMAPK7PDGFRA
SCHEMBL4762558 0.88 MAPK7 (0.54) ACHEBACE1PDGFRBMAPK7PDGFRA
SCHEMBL4761392 0.87 ENPP1 (0.50) ACHEBACE1PDGFRBMAPK7PDGFRA
Trifluoroacetic Acid SCHEMBL4762554 0.86 MAPK7 (0.53) ACHEBACE1PDGFRBMAPK7PDGFRA
SCHEMBL5463718 0.85 ENPP1 (0.51) ACHEBACE1PDGFRBPDGFRAKIT
SCHEMBL8247200 0.84 ACHE (0.47) ACHEBACE1PDGFRBMAPK7PDGFRA
Formic Acid SCHEMBL5467581 0.84 ENPP1 (0.49) ACHEBACE1PDGFRBMAPK7PDGFRA
Formic Acid SCHEMBL5464379 0.83 ENPP1 (0.50) ACHEBACE1PDGFRBPDGFRAKIT
SCHEMBL4761451 0.83 ACHE (0.67) ACHEBACE1KITENPP1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940819-A1 PHOSPHODIESTERASE 10 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-07-09 EP disclosed
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 US disclosed
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 US disclosed
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 US disclosed
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US disclosed
WO-2007022280-A1 PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-02-22 WO disclosed
US-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC 2005-08-18 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 (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-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PDE5A, PDE3A, PDE3B ACHE 20/4885BACE1 570/4885PDGFRB 3233/4885
US-20070093515-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE12, PDE10A ACHE 66/4885BACE1 707/4885PDGFRB 3731/4885

“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.