SCHEMBL2884342

SCHEMBL2884342

Nc1cnc(-c2ccccc2F)nc1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
NPC1 O15118 3/20 0.42
MPL P40238 1/20 0.42
DHPS P49366 2/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ADORA2A P29274 1/20 0.39
ATR Q13535 1/20 0.39
MAP4K4 O95819 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
BACE1 P56817 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2185535 0.83 DHPS (0.46) DPP4NPC1MPLDHPSALDH1A1
SCHEMBL28300766 0.80 TYK2 (0.37) NPC1ALDH1A1L3MBTL1CASP3SENP8
SCHEMBL1582458 0.79 NPC1 (0.39) NPC1ALDH1A1MAP4K4L3MBTL1CASP3
SCHEMBL319435 0.78 ATR (0.45) NPC1MPLALDH1A1ADORA2AATR
SCHEMBL22573477 0.78 NPC1 (0.52) DPP4NPC1ALDH1A1ATRHTT
SCHEMBL28634435 0.77 DHFR (0.44) NPC1ALDH1A1KDM4EATRL3MBTL1
SCHEMBL14068066 0.75 ATR (0.38) DPP4NPC1MPLDHPSALDH1A1
SCHEMBL22573666 0.74 ALOX5AP (0.50) NPC1ALDH1A1ADORA2AATRALOX5AP
SCHEMBL22573653 0.74 GAA (0.49) NPC1ALDH1A1KDM4EADORA2AATR
SCHEMBL482479 0.73 NPC1 (0.50) DPP4NPC1ALDH1A1ADORA2AHTT

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-7691860-B2 Sulfonamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
CN-100567270-C Sulfone amide derivative BANYU PHARMA CO LTD (JP) 2009-12-09 CN disclosed
US-20080161326-A1 Novel Sulfone Amide Amide Derivatives MSD K.K. (JP) 2008-07-03 US disclosed
CN-1922155-A Novel Sulfonamide Derivatives BANYU PHARMA CO LTD (JP) 2007-02-28 CN disclosed
EP-1719765-A1 NOVEL SULFONE AMIDE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP 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-20080161326-A1 Novel Sulfone Amide Amide Derivatives NPY1R, NPY2R, NPY5R DPP4 1925/4885NPC1 3164/4885MPL 1650/4885

“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.