SCHEMBL409520

SCHEMBL409520

COc1ccc(-n2c(CCN)nc3ccccc3c2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.80
CYP1A2 P05177 1/20 0.80
CYP3A4 P08684 1/20 0.80
CYP2D6 P10635 1/20 0.80
CYP2C9 P11712 1/20 0.80
CYP2C19 P33261 1/20 0.80
KMT2A Q03164 1/20 0.80
ALDH1A1 P00352 2/20 0.72
PDE10A Q9Y233 13/20 0.71
USP2 O75604 1/20 0.63
GAA P10253 1/20 0.61
LMNA P02545 1/20 0.61

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
SCHEMBL451250 0.90 ALDH1A1 (0.76) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15154187 0.89 MEN1 (0.64) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4957798 0.87 MEN1 (0.86) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4393425 0.85 ALDH1A1 (0.76) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL453594 0.83 ALDH1A1 (0.76) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL410839 0.83 PDE10A (1.00) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15154005 0.83 PDE10A (0.77) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL409489 0.81 PDE10A (1.00) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29175100 0.81 ALDH1A1 (0.70) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL411000 0.80 PDE10A (1.00) MEN1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435048-B1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2019-07-03 EP disclosed
EP-2435048-B1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2019-07-03 EP disclosed
US-8846000-B2 Radiolabeled PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 US disclosed
US-8846000-B2 Radiolabeled PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 US disclosed
US-8846000-B2 Radiolabeled PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 US disclosed
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 US disclosed
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 US disclosed
WO-2012058133-A1 ISOINDOLINONE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
US-20120064005-A1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
US-20120064005-A1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
US-20120064005-A1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
WO-2010138585-A1 PYRIMIDINONES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 WO disclosed
WO-2010138577-A1 RADIOLABELED PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 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 (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-20120064005-A1 RADIOLABELED PDE10 INHIBITORS PDE5A, PDE3A, PDE10A MEN1 791/4885CYP1A2 967/4885CYP3A4 2451/4885
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS PDE12, PDE10A, PDE4A MEN1 4425/4885CYP1A2 989/4885CYP3A4 2661/4885

“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.