SCHEMBL3380700

SCHEMBL3380700

O=c1c2c(nc(-c3ccccc3O)n1CCc1ccccc1)CCC2

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 19/20 0.63
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL3384744 0.98 CASR (0.63) CASR
SCHEMBL4135359 0.97 CASR (0.61) CASR
SCHEMBL4161407 0.97 CASR (0.61) CASR
SCHEMBL3380694 0.89 CASR (0.67) CASR
SCHEMBL4148052 0.88 CASR (0.62) CASR
SCHEMBL4148671 0.88 CASR (0.59) CASR
SCHEMBL4143967 0.87 CASR (0.66) CASR
SCHEMBL3382035 0.87 CASR (0.67) CASR
SCHEMBL4149187 0.85 CASR (0.48) CASR
SCHEMBL4147993 0.84 CASR (0.58) CASRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615897-B1 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMA INC (US) 2010-11-24 EP claimed
US-7491728-B2 Pyrimidinone compounds as calcilytics SMITHKLINE BEECHAM CORP. (US) 2009-02-17 US claimed
EP-1613606-A4 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMA INC (US) 2008-12-03 EP claimed
EP-1615897-A4 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMA INC (US) 2008-07-23 EP claimed
US-20070197555-A1 Pyrimidinone Compounds As Calcilytics GLAXOSMITHKLINE LLC 2007-08-23 US claimed
US-20070161792-A1 Methods for preparing 2,3,5,6-substituted 3h-pyrimidin-4-ones NPS PHARMACUETICALS, INC (US) 2007-07-12 US claimed
EP-1615897-A2 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-01-18 EP claimed
EP-1613606-A2 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMACEUTICALS, INC. (US) 2006-01-11 EP claimed
WO-2004092121-A2 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMACEUTICALS, INC. (US) 2004-10-28 WO claimed
WO-2004092120-A2 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2004-10-28 WO claimed
EP-1615897-B1 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMA INC (US) 2010-11-24 EP disclosed
EP-1615897-B1 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMA INC (US) 2010-11-24 EP disclosed
US-7491728-B2 Pyrimidinone compounds as calcilytics SMITHKLINE BEECHAM CORP. (US) 2009-02-17 US disclosed
US-7491728-B2 Pyrimidinone compounds as calcilytics SMITHKLINE BEECHAM CORP. (US) 2009-02-17 US disclosed
US-7491728-B2 Pyrimidinone compounds as calcilytics SMITHKLINE BEECHAM CORP. (US) 2009-02-17 US disclosed
US-20070161792-A1 Methods for preparing 2,3,5,6-substituted 3h-pyrimidin-4-ones NPS PHARMACUETICALS, INC (US) 2007-07-12 US disclosed
EP-1615897-A2 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-01-18 EP disclosed
EP-1613606-A2 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
WO-2004092121-A2 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed
WO-2004092120-A2 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2004-10-28 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-20070197555-A1 Pyrimidinone Compounds As Calcilytics TYMP, DPYD, UMPS CASR 286/4885POLB 393/4885HTT 3851/4885
US-20070161792-A1 Methods for preparing 2,3,5,6-substituted 3h-pyrimidin-4-ones TYMP, DPYD, DHFR CASR 4833/4885POLB 56/4885HTT 1856/4885

“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.