SCHEMBL3518683

SCHEMBL3518683

CS(=O)(=O)c1ccc(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.66
CDK1 P06493 8/20 0.65
MTOR P42345 6/20 0.65
CDK2 P24941 6/20 0.65
PIK3CA P42336 1/20 0.65
PIK3CG P48736 1/20 0.65
SMG1 Q96Q15 5/20 0.65
MAPK8 P45983 2/20 0.64
MAPK10 P53779 1/20 0.64
CDK9 P50750 4/20 0.63
CCNT1 O60563 3/20 0.63
CCNB1 P14635 3/20 0.63
CCNA2 P20248 2/20 0.63
CDK7 P50613 2/20 0.63
CCNH P51946 2/20 0.63
CCNA1 P78396 2/20 0.63
GSK3B P49841 2/20 0.59
DKK1 O94907 1/20 0.59
AURKA O14965 1/20 0.58
MAP4K4 O95819 1/20 0.58

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
SCHEMBL7524252 0.87 CDK1 (0.69) IKBKBCDK1MTORCDK2PIK3CA
SCHEMBL3753567 0.84 IKBKB (0.68) IKBKBMAPK8MAPK10GSK3BDKK1
SCHEMBL7471938 0.84 ABL1 (0.70) IKBKBCDK1MTORCDK2PIK3CA
SCHEMBL3760561 0.84 MAPK8 (0.64) IKBKBCDK1MTORCDK2PIK3CA
SCHEMBL6752979 0.83 CAMK2D (0.67) IKBKBCDK1MTORCDK2PIK3CA
SCHEMBL30847388 0.82 CDK1 (0.60) IKBKBCDK1MTORCDK2PIK3CA
SCHEMBL27152320 0.82 CDK1 (0.60) IKBKBCDK1MTORCDK2PIK3CA
SCHEMBL3521890 0.81 CDK1 (0.62) IKBKBCDK1MTORCDK2PIK3CA
SCHEMBL14253959 0.81 IKBKB (0.67) IKBKBCDK1MTORCDK2PIK3CA
SCHEMBL3520990 0.81 CDK1 (0.66) 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
US-20090048282-A1 PYRIMIDINE SULFONAMIDE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-19 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-20090048282-A1 PYRIMIDINE SULFONAMIDE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-19 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 (2 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-20090048282-A1 PYRIMIDINE SULFONAMIDE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A IKBKB 1593/4885CDK1 493/4885MTOR 744/4885
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.