SCHEMBL5622982

SCHEMBL5622982

CCCCCCCCCCCCCCCC(CCC(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.56
CYSLTR1 Q9Y271 1/20 0.56
HDAC11 Q96DB2 4/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
FFAR4 Q5NUL3 2/20 0.49
FFAR1 O14842 2/20 0.49
ASAH1 Q13510 2/20 0.48
S1PR2 O95136 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
ALDH1A1 P00352 3/20 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
SCHEMBL27298223 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1HDAC11HDAC3HDAC4
SCHEMBL8905855 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1HDAC11HDAC3HDAC4
SCHEMBL8903842 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1HDAC11HDAC3HDAC4
SCHEMBL8905265 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1HDAC11HDAC3HDAC4
SCHEMBL8905590 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1HDAC11HDAC3HDAC4
SCHEMBL28759443 1.00 CYSLTR2 (0.56) CYSLTR2CYSLTR1HDAC11HDAC3HDAC4
SCHEMBL8904816 0.98 CYSLTR2 (0.54) CYSLTR2CYSLTR1HDAC11HDAC3HDAC4
SCHEMBL30497412 0.94 CYSLTR2 (0.59) CYSLTR2CYSLTR1HDAC11FFAR4FFAR1
SCHEMBL8904466 0.94 CYSLTR2 (0.63) CYSLTR2CYSLTR1HDAC11FFAR4FFAR1
SCHEMBL10354176 0.94 CYSLTR2 (0.59) CYSLTR2CYSLTR1HDAC11FFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2007-06-28 US claimed
US-20130157976-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES CLAUS ECKHARD (DE) 2013-06-20 US disclosed
US-20120252760-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2012-10-04 US disclosed
US-8217042-B2 Pyridopyrazines and their use as modulators of kinases ZENTARIS GMBH (DE) 2012-07-10 US disclosed
US-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2007-06-28 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 (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-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 CYSLTR2 1738/4885CYSLTR1 2236/4885HDAC11 1583/4885
US-20120252760-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 CYSLTR2 1738/4885CYSLTR1 2236/4885HDAC11 1583/4885
US-20130157976-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 CYSLTR2 1738/4885CYSLTR1 2236/4885HDAC11 1583/4885

“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.