SCHEMBL3518232

SCHEMBL3518232

O=S(=O)(NCc1cccnc1)c1ccc(Nc2nccc(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.54
CHUK O15111 1/20 0.54
NAMPT P43490 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.49
CYP19A1 P11511 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C19 P33261 2/20 0.47
IDO1 P14902 1/20 0.47
CYP3A4 P08684 1/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCD Q05655 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 0.91 IKBKB (0.58) IKBKBCHUKNAMPTCYP19A1LMNA
SCHEMBL3520380 0.84 IKBKB (0.55) IKBKBCHUKALDH1A1LMNA
SCHEMBL3521763 0.82 IKBKB (0.76) IKBKBCHUK
SCHEMBL945881 0.82 IKBKB (0.55) IKBKBCHUK
SCHEMBL3519904 0.81 IKBKB (0.58) IKBKBCHUKMEN1KMT2AALDH1A1
SCHEMBL3516849 0.80 IKBKB (0.68) IKBKBCHUK
SCHEMBL3520614 0.79 IKBKB (0.69) IKBKBCHUK
SCHEMBL3521180 0.79 IKBKB (0.67) IKBKBCHUK
SCHEMBL3516494 0.78 IKBKB (0.70) IKBKBCHUKALDH1A1HTT
SCHEMBL3518043 0.78 IKBKB (0.74) 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 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 2096/4885NAMPT 121/4885

“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.