SCHEMBL3521161

SCHEMBL3521161

CN1CCN(S(=O)(=O)c2ccc(Nc3nccc(-c4ccc(NC(=O)c5cccs5)cc4)n3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.61
CHUK O15111 12/20 0.61
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
USP2 O75604 3/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 3/20 0.56
HSD17B10 Q99714 3/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 4/20 0.55
TSHR P16473 2/20 0.55
HPGD P15428 3/20 0.55
KDM4E B2RXH2 2/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
JAK2 O60674 1/20 0.54
PPARG P37231 1/20 0.54
NCOA2 Q15596 1/20 0.54
NCOA1 Q15788 1/20 0.54

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
SCHEMBL3524227 0.86 IKBKB (0.73) IKBKBCHUKMEN1KMT2AUSP2
SCHEMBL3518065 0.81 IKBKB (0.51) IKBKBCHUKMEN1KMT2AUSP2
SCHEMBL3522246 0.81 IKBKB (0.70) IKBKBCHUKMEN1KMT2ALMNA
SCHEMBL4074460 0.81 IKBKB (0.79) IKBKBCHUKJAK2
SCHEMBL3519371 0.81 IKBKB (0.71) IKBKBCHUKJAK2
SCHEMBL3516540 0.81 IKBKB (0.66) IKBKBCHUK
SCHEMBL3516524 0.79 IKBKB (0.58) IKBKBCHUKJAK2
SCHEMBL4385257 0.79 JAK2 (0.70) IKBKBJAK2
SCHEMBL3517872 0.78 IKBKB (0.79) IKBKBCHUKMEN1KMT2A
SCHEMBL3520829 0.78 IKBKB (0.65) IKBKBMEN1KMT2ALMNAMAPT

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-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US claimed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US claimed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 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-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 IKBKB 3246/4885CHUK 2096/4885MEN1 2279/4885

“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.