SCHEMBL3522246

SCHEMBL3522246

CN1CCN(S(=O)(=O)c2ccc(Nc3nccc(-c4ccc(NC(=O)Cc5ccccc5)cc4)n3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 14/20 0.70
CHUK O15111 12/20 0.61
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
JAK2 O60674 2/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL3516524 0.89 IKBKB (0.58) IKBKBCHUKJAK2HDAC1HDAC6
SCHEMBL3524227 0.88 IKBKB (0.73) IKBKBCHUKKMT2AMEN1GAA
SCHEMBL3519371 0.86 IKBKB (0.71) IKBKBCHUKJAK2HDAC1HDAC6
SCHEMBL3519995 0.86 IKBKB (0.63) IKBKBCHUKJAK2
SCHEMBL3522759 0.84 IKBKB (0.61) IKBKBCHUKJAK2
SCHEMBL3524262 0.83 IKBKB (1.00) IKBKBLMNAJAK2HDAC1HDAC6
SCHEMBL3521161 0.81 IKBKB (0.61) IKBKBCHUKKMT2AMEN1LMNA
SCHEMBL4074460 0.81 IKBKB (0.79) IKBKBCHUKJAK2
SCHEMBL3521199 0.81 IKBKB (0.67) IKBKBCHUKKMT2AMEN1LMNA
SCHEMBL3516540 0.81 IKBKB (0.66) IKBKBCHUK

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 3 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-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 2096/4885KMT2A 2206/4885

“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.