SCHEMBL5765619

SCHEMBL5765619

CNc1nc(OC)c(N)c(OC)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
PDE4A P27815 1/20 0.30
PDE7A Q13946 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL11701544 0.89 P2RX3 (0.34) ALDH1A1MAPK1SMN1; SMN2CCNA2CDK2
SCHEMBL14395834 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16828162 0.74 CCNA2 (0.50) ALDH1A1CCNA2CDK2CCNA1TLR8
SCHEMBL5765616 0.73 POLB (0.49) ALDH1A1MAPK1CDK2PDE4A
SCHEMBL14621844 0.73 P2RX3 (0.37) P2RX3P2RX2TLR8TLR7
Hydrochloric Acid SCHEMBL16828222 0.72 CCNA2 (0.48) ALDH1A1CCNA2CDK2CCNA1TLR8
SCHEMBL3674088 0.72 PKM (0.37) SMN1; SMN2CCNA2CDK2CCNA1
SCHEMBL5765829 0.72 CYP1A2 (0.39) ALDH1A1CCNA2CDK2CCNA1
SCHEMBL13752400 0.71 KMT2A (0.46) ALDH1A1MAPK1SMN1; SMN2CCNA2CDK2
SCHEMBL13952887 0.71 CCNA2 (0.40) CCNA2CDK2CCNA1TLR8TLR7

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
US-7407649-B2 Compounds having a benzene ring substituted with 1 or 2 trialkylsilyl(alkyl) groups and at least 2 additional aryl or heteroaryl rings: 5-[2-methyl-5-(trimethylsilyl)phenoxy]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide; Gonadotropin-Releasing Hormone antagonists; anticancer agents PARADIGM THERAPEUTICS LTD (GB) 2008-08-05 US disclosed
US-7407649-B2 Compounds having a benzene ring substituted with 1 or 2 trialkylsilyl(alkyl) groups and at least 2 additional aryl or heteroaryl rings: 5-[2-methyl-5-(trimethylsilyl)phenoxy]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide; Gonadotropin-Releasing Hormone antagonists; anticancer agents PARADIGM THERAPEUTICS LTD (GB) 2008-08-05 US disclosed
US-20070110708-A1 Silicon compounds and their use PARADIGM THERAPEUTICS LTD (GB) 2007-05-17 US disclosed
US-20070110708-A1 Silicon compounds and their use PARADIGM THERAPEUTICS LTD (GB) 2007-05-17 US disclosed
US-20070111967-A1 Organosilicon compounds and their use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-17 US disclosed
US-20070111967-A1 Organosilicon compounds and their use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-17 US disclosed
EP-1334972-B1 Non-peptide compounds affecting the action of gonadotropin-releasing hormone (GnRH) PFIZER (US) 2006-04-19 EP disclosed
US-6833372-B2 A hormone inhibitors of gonadotropin releasing hormone, an antigonadotropins, new drug compound contains a furanyl 2-carboxylic acid -(2,4-dimethoxy-pyrimidin-5-yl)-amide groups PFIZER, INC. 2004-12-21 US disclosed
US-20040053951-A1 Non-peptide GnRH agents, pharmaceutical compositions, and methods for their use PFIZER INC. 2004-03-18 US disclosed
EP-1334972-A1 Non-peptide compounds affecting the action of gonadotropin-releasing hormone (GnRH) PFIZER INC. (US) 2003-08-13 EP 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-20070110708-A1 Silicon compounds and their use SOST, SMAD3, SMAD2 ALDH1A1 2166/4885MAPK1 2677/4885SMN1; SMN2 330/4885
US-20070111967-A1 Organosilicon compounds and their use CYP2B6, UGT1A6, CYP2D6 ALDH1A1 198/4885MAPK1 4010/4885SMN1; SMN2 3410/4885
US-20040053951-A1 Non-peptide GnRH agents, pharmaceutical compositions, and methods for their use GNRHR, LHCGR, FSHR ALDH1A1 4860/4885MAPK1 2748/4885SMN1; SMN2 4360/4885

“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.