SCHEMBL3518422

SCHEMBL3518422

NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)c4cccnc4)cc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.64
ABL1 P00519 2/20 0.62
PDGFRB P09619 2/20 0.62
BCR P11274 2/20 0.62
SRC P12931 2/20 0.62
PDGFRA P16234 2/20 0.62
PRKCA P17252 2/20 0.62
PRKCD Q05655 2/20 0.62
MAPK8 P45983 1/20 0.60
MAPK10 P53779 1/20 0.60
DKK1 O94907 1/20 0.59
GSK3B P49841 1/20 0.59
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
MTOR P42345 2/20 0.56
SMG1 Q96Q15 1/20 0.56
PRKD3 O94806 1/20 0.56
PRKCG P05129 1/20 0.56
PRKCB P05771 1/20 0.56
PRKCH P24723 1/20 0.56

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
SCHEMBL4904939 0.86 ABL1 (0.71) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL4901659 0.86 ABL1 (0.81) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL7470673 0.84 IKBKB (0.81) IKBKBABL1BCRSRCPRKCA
SCHEMBL8804735 0.84 L3MBTL1 (0.77) POLBL3MBTL1
SCHEMBL4903275 0.81 ABL1 (0.81) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL3519764 0.80 IKBKB (0.97) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL4899630 0.80 ABL1 (0.64) ABL1PDGFRBBCRSRCPDGFRA
SCHEMBL3519410 0.79 IKBKB (0.79) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3519939 0.79 IKBKB (1.00) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL4390255 0.79 TP53 (0.72) IKBKBPDGFRBPDGFRAMAPK8MAPK10

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 3246/4885ABL1 206/4885PDGFRB 194/4885

“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.