SCHEMBL3518099

SCHEMBL3518099

NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)C4CCCC4)cc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 14/20 0.64
MAPK8 P45983 1/20 0.61
MAPK10 P53779 1/20 0.61
JAK2 O60674 2/20 0.57
DKK1 O94907 1/20 0.57
GSK3B P49841 1/20 0.57
CHUK O15111 1/20 0.56
ABL1 P00519 1/20 0.56
PDGFRB P09619 1/20 0.56
BCR P11274 1/20 0.56
SRC P12931 1/20 0.56
PDGFRA P16234 1/20 0.56
MTOR P42345 1/20 0.55
SMG1 Q96Q15 1/20 0.55
HDAC1 Q13547 1/20 0.53

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
SCHEMBL3522103 0.96 IKBKB (0.67) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL3516817 0.84 IKBKB (0.69) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL3522035 0.82 IKBKB (0.68) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL3519410 0.80 IKBKB (0.79) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL3516712 0.79 IKBKB (0.68) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL4374728 0.79 JAK2 (0.79) IKBKBMAPK8JAK2PDGFRBPDGFRA
SCHEMBL3516707 0.79 IKBKB (0.78) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL3519764 0.79 IKBKB (0.97) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL27680477 0.78 IKBKB (0.62) IKBKBMAPK8MAPK10JAK2DKK1
SCHEMBL3520622 0.78 IKBKB (0.79) IKBKBMAPK8MAPK10JAK2DKK1

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 3246/4885MAPK8 3605/4885MAPK10 3905/4885

“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.