SCHEMBL2094656

SCHEMBL2094656

CCC(C(=O)O)=C(NC)NC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.45
GRIK1 P39086 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIK3 Q13003 1/20 0.34
GRIK5 Q16478 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
THRB P10828 1/20 0.31
PGGT1B P53609 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 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
Dimethylamine SCHEMBL10973447 0.80 FFAR3 (0.44) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL2158345 0.77
SCHEMBL14094993 0.77 FFAR3 (0.36) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL1127391 0.77 TDP1 (0.36) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL1127385 0.77 TDP1 (0.36) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL42601 0.76 FFAR3 (0.53) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL101165 0.76 FFAR3 (0.53) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL42603 0.76 FFAR3 (0.53) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL17706738 0.76 FFAR3 (0.47) FFAR3GRIK1GRIA4GRIK3GRIK5
SCHEMBL17706737 0.76 FFAR3 (0.47) FFAR3GRIK1GRIA4GRIK3GRIK5

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-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP disclosed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US disclosed
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
EP-1340747-A1 Process for the preparation of 2-halogene-alkyl nicotinic acid alkyl-esters BAYER AG (DE) 2003-09-03 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 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 (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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 FFAR3 3722/4885GRIK1 3104/4885GRIA4 4187/4885

“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.