SCHEMBL2248689

SCHEMBL2248689

CS(=O)(=O)N1CCc2nc(CNCC3CCN(C(=O)O)CC3)ncc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
NAMPT P43490 2/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
AURKA O14965 2/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
MAPK1 P28482 2/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL2246333 0.81 GPR119 (0.43) MAPT
SCHEMBL3405712 0.80 HSP90AA1 (0.41) ALDH1A1L3MBTL1NAMPT
SCHEMBL2248693 0.79 ALDH1A1 (0.37) ALDH1A1L3MBTL1AURKACCNA2CDK2
SCHEMBL3407169 0.79 NAMPT (0.40) ALDH1A1L3MBTL1NAMPTJAK2JAK3
SCHEMBL2246205 0.75 ESR1 (0.42) JAK2JAK3MAPK1CNR2
SCHEMBL2245827 0.73 NPC1 (0.39) JAK2JAK3CDK2MAPK1CCNE1
SCHEMBL2253391 0.72 GPR119 (0.43)
SCHEMBL2243447 0.70 GPR119 (0.52) MAPT
SCHEMBL5775725 0.69 HSP90AA1 (0.44) PDGFRBKDRMAPK1MAPTENPP2
SCHEMBL2253780 0.69 TAAR1 (0.36) NAMPTJAK2JAK3MAPTENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 US claimed
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 US disclosed
EP-2252613-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM, LLC (BM) 2010-11-24 EP disclosed
WO-2009105717-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 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-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 ALDH1A1 1462/4885L3MBTL1 4812/4885PDGFRB 326/4885

“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.