SCHEMBL3380774

SCHEMBL3380774

C=C(N)C(C(=O)OC)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
CA14 Q9ULX7 4/20 0.40
CA12 O43570 3/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.32
SLC7A5 Q01650 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL6895304 0.81 SMN1; SMN2 (0.58) SMN1; SMN2CA14CA12MEN1KMT2A
SCHEMBL6895301 0.81 SMN1; SMN2 (0.58) SMN1; SMN2CA14CA12MEN1KMT2A
SCHEMBL188811 0.80 SMN1; SMN2 (0.70) SMN1; SMN2CA14CA12MEN1KMT2A
SCHEMBL6894766 0.77 SMN1; SMN2 (0.54) SMN1; SMN2CA14CA12MEN1KMT2A
SCHEMBL856080 0.73 SMN1; SMN2 (0.61) SMN1; SMN2CA14CA12MEN1KMT2A
SCHEMBL6446523 0.73 SMN1; SMN2 (0.61) SMN1; SMN2CA14CA12KMT2AALDH1A1
SCHEMBL4616218 0.71 SMN1; SMN2 (0.71) SMN1; SMN2CA14CA12MEN1KMT2A
SCHEMBL204828 0.70
SCHEMBL135981 0.70
SCHEMBL135982 0.70

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 12 patents. 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 disclosed
US-7491728-B2 Pyrimidinone compounds as calcilytics SMITHKLINE BEECHAM CORP. (US) 2009-02-17 US disclosed
EP-1613606-A4 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMA INC (US) 2008-12-03 EP disclosed
EP-1615897-A4 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMA INC (US) 2008-07-23 EP disclosed
US-20070197555-A1 Pyrimidinone Compounds As Calcilytics GLAXOSMITHKLINE LLC 2007-08-23 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
US-20070161792-A1 Methods for preparing 2,3,5,6-substituted 3h-pyrimidin-4-ones NPS PHARMACUETICALS, INC (US) 2007-07-12 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 SMN1; SMN2 2378/4885CA14 2949/4885CA12 3849/4885
US-20070161792-A1 Methods for preparing 2,3,5,6-substituted 3h-pyrimidin-4-ones TYMP, DPYD, DHFR SMN1; SMN2 455/4885CA14 4515/4885CA12 4800/4885

“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.