SCHEMBL3520047

SCHEMBL3520047

COc1ccc(CC(=O)Nc2ccc(-c3ccnc(Nc4ccc(S(=O)(=O)CCN(C)C)cc4)n3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.59
GAA P10253 1/20 0.55
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
CHUK O15111 1/20 0.49
PKM P14618 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
JAK2 O60674 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC1 Q13547 2/20 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
SCHEMBL3520272 0.90 IKBKB (0.73) IKBKBCHUKJAK2HDAC6HDAC1
SCHEMBL3521391 0.89 IKBKB (0.58) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3517070 0.87 IKBKB (0.59) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3522502 0.84 IKBKB (0.66) IKBKBMEN1KMT2APIK3CAPIK3CB
SCHEMBL3518118 0.83 IKBKB (0.73) IKBKBCHUKJAK2HDAC6HDAC1
SCHEMBL3519923 0.83 IKBKB (0.55) IKBKBCHUKJAK2HDAC6HDAC1
SCHEMBL3516801 0.82 IKBKB (0.74) IKBKBALDH1A1MEN1KMT2ACHUK
SCHEMBL3520938 0.81 GAA (0.58) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3516920 0.78 IKBKB (0.67) IKBKB
SCHEMBL3520630 0.78 IKBKB (0.70) IKBKBMEN1KMT2AJAK2HDAC6

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 3246/4885GAA 4024/4885ALDH1A1 1072/4885

“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.