SCHEMBL4944840

SCHEMBL4944840

Nc1nc(-c2ccccc2OCc2ccccc2)cc(C2CCCN(C(=O)O)C2)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TRPC6 Q9Y210 1/20 0.37
PTGER1 P34995 2/20 0.37
PTGER4 P35408 2/20 0.37
PTGER3 P43115 2/20 0.37
PTGER2 P43116 2/20 0.37
IGF1R P08069 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
ERN1 O75460 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36

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
SCHEMBL4942308 0.90 PRMT5 (0.46) ALOX5APFEN1ALDH1A1HPGD
SCHEMBL5256948 0.83 BTK (0.42) IKBKBMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL4945904 0.80 PRMT5 (0.46) ALOX5APFEN1ALDH1A1HPGD
SCHEMBL14046479 0.79 PRMT5 (0.48) ALOX5APFEN1ALDH1A1HPGD
SCHEMBL4951817 0.79 JAK2 (0.37) IKBKBMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL4945873 0.79 IKBKB (0.49) IKBKBALOX5APFEN1
SCHEMBL4940870 0.79 PRMT5 (0.47) ALOX5APFEN1ALDH1A1HPGD
SCHEMBL4940878 0.79 SMYD2 (0.43) MEN1KMT2ASMN1; SMN2NPSR1JAK2
SCHEMBL4944836 0.78 PRMT5 (0.47) ALOX5APFEN1ALDH1A1HPGD
SCHEMBL4946466 0.78 PRMT5 (0.47) ALOX5APFEN1ALDH1A1HPGD

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
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-20060205676-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-09-14 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-20060205676-A1 Pyridine derivatives CBR3, ARG1, HRH3 IKBKB 1024/4885ALOX5AP 1740/4885FEN1 4454/4885

“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.