SCHEMBL3516622

SCHEMBL3516622

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 1.00
MAPK8 P45983 1/20 0.74
MAPK10 P53779 1/20 0.74
DKK1 O94907 2/20 0.69
GSK3B P49841 2/20 0.69
PIK3CA P42336 2/20 0.66
PIK3CB P42338 2/20 0.66
PIK3CG P48736 2/20 0.66
JAK2 O60674 1/20 0.65
CHUK O15111 2/20 0.64

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
SCHEMBL3519764 0.88 IKBKB (0.97) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3520622 0.87 IKBKB (0.79) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3518049 0.87 IKBKB (0.79) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3519410 0.87 IKBKB (0.79) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3519939 0.87 IKBKB (1.00) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3517290 0.86 IKBKB (0.78) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3518914 0.85 IKBKB (0.74) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL4028080 0.84 IKBKB (0.74) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3518043 0.84 IKBKB (0.74) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3520628 0.84 IKBKB (0.74) IKBKBMAPK8MAPK10DKK1GSK3B

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.