SCHEMBL3520380

SCHEMBL3520380

O=S(=O)(NCc1ccccn1)c1ccc(Nc2nccc(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.55
CHUK O15111 1/20 0.55
SYK P43405 1/20 0.53
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.48
PRMT1 Q99873 1/20 0.48
MCL1 Q07820 1/20 0.47
DKK1 O94907 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL3516413 0.85 IKBKB (0.58) IKBKBCHUKSYKLMNA
SCHEMBL945881 0.84 IKBKB (0.55) IKBKBCHUKSYKGSK3B
SCHEMBL3518232 0.84 IKBKB (0.54) IKBKBCHUKALDH1A1LMNA
SCHEMBL3521763 0.83 IKBKB (0.76) IKBKBCHUKSYK
SCHEMBL3519904 0.82 IKBKB (0.58) IKBKBCHUKSYKALDH1A1LMNA
SCHEMBL3516849 0.81 IKBKB (0.68) IKBKBCHUKSYK
SCHEMBL3520614 0.80 IKBKB (0.69) IKBKBCHUK
SCHEMBL3521180 0.79 IKBKB (0.67) IKBKBCHUKSYKDKK1GSK3B
SCHEMBL3516494 0.79 IKBKB (0.70) IKBKBCHUKALDH1A1
SCHEMBL3518043 0.78 IKBKB (0.74) IKBKBCHUKDKK1GSK3B

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 2096/4885SYK 2271/4885

“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.