SCHEMBL10275906

SCHEMBL10275906

CCCN(CCC)S(=O)(=O)c1ccc(-c2[nH]c3c(-c4ccc(Cl)cc4Cl)c(-c4ccccc4)nn3c(=O)c2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.37
CRHR1 P34998 9/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PTGS2 P35354 2/20 0.34
VCAM1 P19320 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL10275643 0.90 CRHR1 (0.42) ADORA2BCRHR1ALDH1A1NPSR1
SCHEMBL10276011 0.85 ARF6 (0.41) ADORA2BCRHR1ALDH1A1NPSR1
SCHEMBL10276039 0.80 ARF6 (0.41) CRHR1ALDH1A1
SCHEMBL10275490 0.80 ARF6 (0.41)
SCHEMBL10276160 0.79 ARF6 (0.35) PTGS2
SCHEMBL10275898 0.75 ADORA2B (0.39) ADORA2BPTGS2CA12CA9PTGDR2
SCHEMBL27949767 0.73 ARF6 (0.47) CRHR1HTT
SCHEMBL10313481 0.72 ARF6 (0.41)
SCHEMBL10275181 0.71 MEN1 (0.38) HTTL3MBTL1ALDH1A1NPSR1
SCHEMBL10276119 0.69 ARF6 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 ADORA2B 86/4885CRHR1 1464/4885HTT 4483/4885

“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.