SCHEMBL3517290

SCHEMBL3517290

CC(C)c1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 14/20 0.78
MAPK8 P45983 1/20 0.73
MAPK10 P53779 1/20 0.73
DKK1 O94907 2/20 0.68
GSK3B P49841 2/20 0.68
JAK2 O60674 1/20 0.62
CDK2 P24941 3/20 0.61
CCNT1 O60563 1/20 0.61
CDK1 P06493 1/20 0.61
CCNB1 P14635 1/20 0.61
CCNA2 P20248 1/20 0.61
CDK7 P50613 1/20 0.61
CDK9 P50750 1/20 0.61
CCNH P51946 1/20 0.61
CCNA1 P78396 1/20 0.61
CHUK O15111 1/20 0.61
CDK4 P11802 1/20 0.55

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
SCHEMBL3518049 0.86 IKBKB (0.79) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3516622 0.86 IKBKB (1.00) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3519092 0.85 IKBKB (0.69) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3519764 0.85 IKBKB (0.97) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3519410 0.84 IKBKB (0.79) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3520622 0.84 IKBKB (0.79) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3519939 0.84 IKBKB (1.00) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3520678 0.83 IKBKB (1.00) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL4659233 0.82 IKBKB (0.72) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL5519390 0.82 IKBKB (0.72) 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.