SCHEMBL898928

SCHEMBL898928

Cc1nc(C)c(CNc2nc(OCCCc3ccc4ccccc4n3)nc(Cl)c2C)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C9 P11712 1/20 1.00
KCNH2 Q12809 1/20 1.00
PDE10A Q9Y233 19/20 0.80

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
SCHEMBL15021719 0.86 NR1I2 (0.75) NR1I2CYP3A4CYP2C9KCNH2PDE10A
SCHEMBL15022481 0.85 NR1I2 (0.73) NR1I2CYP3A4CYP2C9KCNH2PDE10A
SCHEMBL898907 0.82 PDE10A (1.00) NR1I2CYP3A4CYP2C9KCNH2PDE10A
SCHEMBL899035 0.82 NR1I2 (0.69) NR1I2CYP3A4CYP2C9KCNH2PDE10A
SCHEMBL899884 0.82 PDE10A (1.00) NR1I2CYP3A4CYP2C9KCNH2PDE10A
SCHEMBL899560 0.81 PDE10A (1.00) NR1I2CYP3A4CYP2C9KCNH2PDE10A
SCHEMBL15032763 0.78 PDE10A (1.00) NR1I2CYP3A4CYP2C9KCNH2PDE10A
SCHEMBL15021702 0.78 PDE10A (1.00) NR1I2CYP3A4CYP2C9KCNH2PDE10A
SCHEMBL898627 0.77 PDE10A (1.00) NR1I2CYP3A4CYP2C9KCNH2PDE10A
SCHEMBL10081993 0.77 PDE10A (1.00) NR1I2CYP3A4CYP2C9KCNH2PDE10A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022060978-A1 METHODS OF TREATING PARKINSON'S DISEASE AND RELATED DISORDERS WITH PDE10A INHIBITORS MATADOR THERAPEUTICS, INC. (US) 2022-03-24 WO claimed
US-10736894-B2 Methods of treating developmental syndromes with PDE10A inhibitors OVID THERAPEUTICS INC. (US) 2020-08-11 US claimed
WO-2019161179-A1 METHODS OF TREATING DEVELOPMENTAL SYNDROMES WITH PDE10A INHIBITORS OVID THERAPEUTICS INC. (US) 2019-08-22 WO claimed
US-20190247394-A1 METHODS OF TREATING DEVELOPMENTAL SYNDROMES WITH PDE10A INHIBITORS OVID THERAPEUTICS INC. 2019-08-15 US claimed
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
WO-2022060978-A1 METHODS OF TREATING PARKINSON'S DISEASE AND RELATED DISORDERS WITH PDE10A INHIBITORS MATADOR THERAPEUTICS, INC. (US) 2022-03-24 WO disclosed
US-10736894-B2 Methods of treating developmental syndromes with PDE10A inhibitors OVID THERAPEUTICS INC. (US) 2020-08-11 US disclosed
WO-2019161179-A1 METHODS OF TREATING DEVELOPMENTAL SYNDROMES WITH PDE10A INHIBITORS OVID THERAPEUTICS INC. (US) 2019-08-22 WO disclosed
US-20190247394-A1 METHODS OF TREATING DEVELOPMENTAL SYNDROMES WITH PDE10A INHIBITORS OVID THERAPEUTICS INC. 2019-08-15 US 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
EP-2621276-A2 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-08-07 EP 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 (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-20130158056-A1 ALKOXY PYRIMIDINE PDE10 INHIBITORS PDE10A, PDE11A, PDE12 NR1I2 4311/4885CYP3A4 3247/4885CYP2C9 2563/4885
US-20190247394-A1 METHODS OF TREATING DEVELOPMENTAL SYNDROMES WITH PDE10A INHIBITORS PDE1B, PDE1A, PDE7B NR1I2 4076/4885CYP3A4 4840/4885CYP2C9 4707/4885
US-10736894-B2 Methods of treating developmental syndromes with PDE10A inhibitors PDE1B, PDE1A, PDE7B NR1I2 4076/4885CYP3A4 4840/4885CYP2C9 4707/4885

“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.