SCHEMBL411000

SCHEMBL411000

COc1ccc(-n2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 1.00
ALDH1A1 P00352 1/20 0.68
MEN1 O00255 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
KMT2A Q03164 1/20 0.68
RAB9A P51151 1/20 0.64

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
SCHEMBL410839 0.89 PDE10A (1.00) PDE10AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL409489 0.87 PDE10A (1.00) PDE10AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4393425 0.82 ALDH1A1 (0.76) PDE10AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL451250 0.82 ALDH1A1 (0.76) PDE10AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL410771 0.81 PDE10A (1.00) PDE10AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL409520 0.80 MEN1 (0.80) PDE10AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL453594 0.80 ALDH1A1 (0.76) PDE10AALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL409455 0.80 PDE10A (1.00) PDE10A
SCHEMBL410399 0.80 PDE10A (1.00) PDE10A
SCHEMBL411057 0.80 PDE10A (1.00) PDE10A

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-8846000-B2 Radiolabeled PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 US claimed
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-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 (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-20120064005-A1 RADIOLABELED PDE10 INHIBITORS PDE5A, PDE3A, PDE10A PDE10A 3/4885ALDH1A1 301/4885MEN1 791/4885

“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.