SCHEMBL3517872

SCHEMBL3517872

CN1CCN(S(=O)(=O)c2ccc(Nc3nccc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 14/20 0.79
CHUK O15111 12/20 0.79
CCNA2 P20248 1/20 0.61
CDK2 P24941 1/20 0.61
CCNA1 P78396 1/20 0.61
PIK3CA P42336 3/20 0.61
PIK3CB P42338 3/20 0.61
PIK3CG P48736 3/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL3516540 0.87 IKBKB (0.66) IKBKBCHUK
SCHEMBL4074460 0.83 IKBKB (0.79) IKBKBCHUK
SCHEMBL3516875 0.83 IKBKB (0.60) IKBKBCHUK
SCHEMBL3519995 0.81 IKBKB (0.63) IKBKBCHUK
SCHEMBL3524334 0.81 IKBKB (0.58) IKBKBCHUK
SCHEMBL4028080 0.80 IKBKB (0.74) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL3519371 0.80 IKBKB (0.71) IKBKBCHUK
SCHEMBL3522759 0.80 IKBKB (0.61) IKBKBCHUK
SCHEMBL8308666 0.80 IKBKB (0.65) IKBKBCHUKCDK2
SCHEMBL3521161 0.78 IKBKB (0.61) IKBKBCHUKMEN1KMT2A

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 6 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
EP-1799652-A1 N-BENZENESULFONYL SUBSTITUTED ANILINO-PYRIMIDINE ANALOGS Wyeth (US) 2007-06-27 EP claimed
WO-2006044457-A1 N-BENZENESULFONYL SUBSTITUTED ANILINO-PYRIMIDINE ANALOGS WYETH (US) 2006-04-27 WO 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 2096/4885CCNA2 49/4885

“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.