SCHEMBL4399739

SCHEMBL4399739

CCCC1Cc2ccccc2CN1c1ncnc2cc(OC)c(OC)cc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.53
ACHE P22303 5/20 0.51
BACE1 P56817 5/20 0.51
EGFR P00533 3/20 0.51
CSF1R P07333 1/20 0.50
TNKS O95271 1/20 0.49
PARP1 P09874 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
ENPP1 P22413 1/20 0.48
PDE3A Q14432 2/20 0.48
AURKA O14965 3/20 0.48
PDE10A Q9Y233 3/20 0.48
INSR P06213 1/20 0.48
IGF1R P08069 1/20 0.48
CDK4 P11802 1/20 0.48
AURKB Q96GD4 1/20 0.48
HTR1A P08908 1/20 0.47
KIT P10721 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
SCHEMBL5468434 0.79 ACHE (0.68) HTR7ACHEBACE1EGFRCSF1R
SCHEMBL14407961 0.74 HTR7 (0.68) HTR7ACHEBACE1EGFRCSF1R
SCHEMBL9113385 0.74 EGFR (0.57) HTR7ACHEBACE1EGFRCSF1R
SCHEMBL4399140 0.74 HTR7 (0.64) HTR7ACHEBACE1EGFRCSF1R
SCHEMBL22455162 0.73 ENPP1 (0.80) HTR7ACHEBACE1ENPP1PDE3A
SCHEMBL4761654 0.73 ACHE (0.54) ACHEBACE1EGFRCSF1RENPP1
SCHEMBL4761434 0.73 ACHE (0.54) ACHEBACE1EGFRCSF1RENPP1
SCHEMBL4761466 0.73 ACHE (0.54) ACHEBACE1EGFRCSF1RENPP1
SCHEMBL4402335 0.72 ENPP1 (0.50) ACHEBACE1EGFRCSF1RENPP1
SCHEMBL24393369 0.71 ENPP1 (0.59) HTR7ACHEBACE1ENPP1PDE3A

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 16 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 claimed
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US claimed
WO-2007022280-A1 PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-02-22 WO claimed
EP-1723134-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE Pfizer Products Incorporated (US) 2006-11-22 EP claimed
WO-2005082883-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE PFIZER PRODUCTS INC. (US) 2005-09-09 WO claimed
US-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC 2005-08-18 US claimed
US-20090162286-A1 Phosphodiesterase 10 Inhibition as Treatment for Obesity-Related and Metabolic Syndrome-Related Conditions PFIZER INC. 2009-06-25 US disclosed
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-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US disclosed
EP-1755611-A1 PHOSPHODIESTERASE 10 INHIBITION AS TREATMENT FOR OBESITY-RELATED AND METABOLIC SYNDROME-RELATED CONDITIONS Pfizer Products Inc. (US) 2007-02-28 EP disclosed
WO-2007022280-A1 PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-02-22 WO disclosed
EP-1723134-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE Pfizer Products Incorporated (US) 2006-11-22 EP disclosed
WO-2005120514-A1 PHOSPHODIESTERASE 10 INHIBITION AS TREATMENT FOR OBESITY-RELATED AND METABOLIC SYNDROME-RELATED CONDITIONS PFIZER PRODUCTS INC. (US) 2005-12-22 WO disclosed
WO-2005082883-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE PFIZER PRODUCTS INC. (US) 2005-09-09 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 (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-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PDE5A, PDE3A, PDE3B HTR7 728/4885ACHE 20/4885BACE1 570/4885
US-20070093515-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE12, PDE10A HTR7 1495/4885ACHE 66/4885BACE1 707/4885
US-20090162286-A1 Phosphodiesterase 10 Inhibition as Treatment for Obesity-Related and Metabolic Syndrome-Related Conditions PDE5A, PDE12, PDE2A HTR7 1524/4885ACHE 86/4885BACE1 874/4885

“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.