SCHEMBL898803

SCHEMBL898803

Cc1c(Cl)nc(OCCCc2ccc3ncccc3n2)nc1NCc1cnn(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 1.00
NR1I2 O75469 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
KCNH2 Q12809 1/20 0.52

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
SCHEMBL15021731 0.80 PDE10A (1.00) PDE10ANR1I2CYP3A4CYP2C9
SCHEMBL15032762 0.80 PDE10A (1.00) PDE10ANR1I2CYP3A4CYP2C9
SCHEMBL15021771 0.80 PDE10A (1.00) PDE10ANR1I2CYP3A4CYP2C9
SCHEMBL10082624 0.80 PDE10A (0.66) PDE10ANR1I2CYP3A4CYP2C9KCNH2
SCHEMBL15021722 0.79 PDE10A (0.66) PDE10ANR1I2CYP3A4CYP2C9KCNH2
SCHEMBL902933 0.76 PDE10A (0.61) PDE10ANR1I2CYP3A4CYP2C9KCNH2
SCHEMBL19751956 0.74 PDE10A (0.65) PDE10ANR1I2CYP3A4CYP2C9
SCHEMBL19751943 0.74 PDE10A (0.59) PDE10ANR1I2CYP3A4CYP2C9KCNH2
SCHEMBL19751837 0.73 PDE10A (0.65) PDE10ANR1I2CYP3A4CYP2C9
SCHEMBL15021734 0.72 PDE10A (1.00) PDE10ANR1I2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621276-B1 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-12-27 EP claimed
US-8785467-B2 Alkoxy pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-22 US claimed
EP-2621276-A2 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-08-07 EP claimed
US-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US claimed
WO-2012044561-A2 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO claimed
EP-2621276-B1 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-12-27 EP disclosed
EP-2621276-B1 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-12-27 EP disclosed
US-8785467-B2 Alkoxy pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785467-B2 Alkoxy pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785467-B2 Alkoxy pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
WO-2012044561-A2 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-05 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-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS PDE10A, PDE11A, PDE12 PDE10A 1/4885NR1I2 4311/4885CYP3A4 3247/4885

“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.