SCHEMBL3518244

SCHEMBL3518244

NS(=O)(=O)c1cccc(Nc2nccc(-c3ccc(NC(=O)Cc4cccs4)cc3)n2)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.85
CDK1 P06493 8/20 0.62
MTOR P42345 8/20 0.62
CDK2 P24941 7/20 0.62
PIK3CA P42336 3/20 0.62
PIK3CG P48736 3/20 0.62
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA5A P35218 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA13 Q8N1Q1 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
POLB P06746 2/20 0.55
RECQL P46063 2/20 0.55
ESR2 Q92731 2/20 0.55
HSD17B10 Q99714 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 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
SCHEMBL3520303 0.92 IKBKB (1.00) IKBKBCA12CA1CA2CA5A
SCHEMBL3518288 0.86 IKBKB (0.82) IKBKBCDK1MTORCDK2PIK3CA
SCHEMBL3516842 0.86 IKBKB (0.65) IKBKBCDK1MTORCDK2PIK3CA
SCHEMBL3523274 0.86 ABL1 (0.65) IKBKBCDK1MTORCDK2PIK3CA
SCHEMBL3521443 0.83 IKBKB (0.81) IKBKBCDK1MTORCDK2PIK3CA
SCHEMBL3517708 0.82 IKBKB (0.78) IKBKBCA12CA1CA2CA5A
SCHEMBL2946111 0.81 CDK1 (0.63) IKBKBCDK1MTORCDK2PIK3CA
SCHEMBL3516801 0.80 IKBKB (0.74) IKBKBCDK2CA12CA1CA2
SCHEMBL3524227 0.79 IKBKB (0.73) IKBKBPOLBRECQLESR2HSD17B10
SCHEMBL7524252 0.79 CDK1 (0.69) IKBKBCDK1MTORCDK2PIK3CA

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 6 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
CN-101039919-A N-benzenesulfonyl substituted anilino-pyrimidine analogs WYETH CORP (US) 2007-09-19 CN 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
CN-101039919-A N-benzenesulfonyl substituted anilino-pyrimidine analogs WYETH CORP (US) 2007-09-19 CN 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 3246/4885CDK1 43/4885MTOR 2111/4885

“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.