SCHEMBL3846286

SCHEMBL3846286

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL3740401 0.76 TDP1 (0.37) FFAR3LCKFYNTDP1HSD17B10
SCHEMBL8642402 0.75 TDP1 (0.38) FFAR3LCKFYNTDP1ALDH1A1
Acetic Acid SCHEMBL31372161 0.74 FFAR3 (0.58) FFAR3LCKFYNLMNA
SCHEMBL1705614 0.73 ALDH1A1 (0.33) TDP1HSD17B10ALDH1A1
SCHEMBL8426644 0.72 FFAR3 (0.43) FFAR3LCKFYNLMNA
SCHEMBL1771329 0.71
SCHEMBL316537 0.69 CA1 (0.40) FFAR3LCKFYN
Bicarbonate SCHEMBL11155878 0.65 FFAR3 (0.55) FFAR3LCKFYNTDP1HSD17B10
Bicarbonate SCHEMBL319706 0.65
Acetic Acid SCHEMBL21175529 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042500-A1 N-[4-(1-H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-[(hetero)aryl]-urea compounds, pharmaceutical compositions comprising them, their preparation and their use as Tie2-kinase inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-01 EP disclosed
US-20090062273-A1 3-H-pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same. BAYER SCHERING PHARMA AG (DE) 2009-03-05 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-20090062273-A1 3-H-pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same. KDR, FLT4, TIE1 FFAR3 378/4885LCK 794/4885FYN 249/4885

“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.