SCHEMBL3519764

SCHEMBL3519764

NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(Nc4nccc(-c5ccccc5)n4)cc3)n2)cc1

nearest known ligand 0.97

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.97
DKK1 O94907 2/20 0.78
GSK3B P49841 2/20 0.78
MAPK8 P45983 2/20 0.76
MAPK10 P53779 2/20 0.76
JAK2 O60674 1/20 0.67
CHUK O15111 1/20 0.65

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
SCHEMBL3519939 0.99 IKBKB (1.00) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL7470673 0.88 IKBKB (0.81) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3516622 0.88 IKBKB (1.00) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3519410 0.88 IKBKB (0.79) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3520622 0.88 IKBKB (0.79) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3518049 0.88 IKBKB (0.79) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL4151857 0.88 DKK1 (1.00) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3520628 0.85 IKBKB (0.74) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3518043 0.85 IKBKB (0.74) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL4028080 0.85 IKBKB (0.74) IKBKBDKK1GSK3BMAPK8MAPK10

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 3246/4885DKK1 2975/4885GSK3B 2108/4885

“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.