SCHEMBL15940262

SCHEMBL15940262

Cc1cccc([C@H]2C[C@@H]2COc2nc(N)nc(NCc3nnc(C)s3)c2F)n1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.74
KCNH2 Q12809 2/20 0.46
NR1I2 O75469 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
SSTR2 P30874 1/20 0.44

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
SCHEMBL14721169 1.00 PDE10A (0.74) PDE10AKCNH2NR1I2CYP3A4CYP2C9
SCHEMBL14722614 0.90 PDE10A (0.77) PDE10AKCNH2NR1I2CYP3A4CYP2C9
SCHEMBL14726852 0.90 PDE10A (0.77) PDE10AKCNH2NR1I2CYP3A4CYP2C9
SCHEMBL14723267 0.86 PDE10A (0.85) PDE10AKCNH2SSTR2
SCHEMBL14722561 0.86 PDE10A (0.85) PDE10AKCNH2SSTR2
SCHEMBL14722850 0.86 PDE10A (0.85) PDE10AKCNH2SSTR2
SCHEMBL14721039 0.86 PDE10A (0.85) PDE10AKCNH2SSTR2
SCHEMBL14726860 0.86 PDE10A (0.71) PDE10AKCNH2NR1I2CYP3A4CYP2C9
SCHEMBL14723005 0.86 PDE10A (0.71) PDE10AKCNH2NR1I2CYP3A4CYP2C9
SCHEMBL14722047 0.85 PDE10A (1.00) PDE10AKCNH2SSTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748151-B1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-03-16 EP claimed
US-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US claimed
EP-2748151-B1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-03-16 EP disclosed
EP-2748151-B1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-03-16 EP disclosed
US-9062059-B2 Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-9062059-B2 Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-9062059-B2 Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 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 (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-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS PDE12, PDE10A, PDE11A PDE10A 2/4885KCNH2 2618/4885NR1I2 4134/4885

“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.