SCHEMBL3516615

SCHEMBL3516615

CN(C)CCN(C(=O)CCc1cccs1)S(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)CCc4cccs4)cc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.59
CHUK O15111 1/20 0.45
JAK2 O60674 6/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC6 Q9UBN7 5/20 0.45
POLB P06746 5/20 0.43
ESR2 Q92731 3/20 0.43
CTDSP1 Q9GZU7 3/20 0.43
RECQL P46063 2/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ESR1 P03372 2/20 0.43
DNMT1 P26358 1/20 0.43
JAK3 P52333 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3518611 0.94 IKBKB (0.58) IKBKBCHUKJAK2HDAC1HDAC6
SCHEMBL3518389 0.85 IKBKB (0.62) IKBKBCHUKJAK2HDAC1HDAC6
SCHEMBL3519734 0.82 IKBKB (0.59) IKBKBCHUKJAK2HDAC1HDAC6
SCHEMBL3518983 0.81 IKBKB (0.61) IKBKBCHUKJAK2HDAC1HDAC6
SCHEMBL3524261 0.80 IKBKB (0.68) IKBKBCHUKJAK2HDAC1HDAC6
SCHEMBL3516801 0.80 IKBKB (0.74) IKBKBCHUKJAK2HDAC1HDAC6
SCHEMBL3516112 0.80 IKBKB (0.52) IKBKBCHUKJAK2HDAC1HDAC6
SCHEMBL3518415 0.80 IKBKB (0.69) IKBKBCHUKJAK2HDAC1HDAC6
SCHEMBL3517828 0.79 IKBKB (0.72) IKBKBPOLBESR2CTDSP1RECQL
SCHEMBL3516470 0.77 IKBKB (0.70) IKBKBPOLBESR2CTDSP1RECQL

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 2096/4885JAK2 341/4885

“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.