SCHEMBL3516308

SCHEMBL3516308

NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(Br)s3)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.76
DKK1 O94907 2/20 0.76
GSK3B P49841 2/20 0.76
CDK2 P24941 5/20 0.65
CCNT1 O60563 4/20 0.65
CDK1 P06493 4/20 0.65
CCNB1 P14635 4/20 0.65
CDK9 P50750 4/20 0.65
CCNA2 P20248 3/20 0.65
CDK7 P50613 3/20 0.65
CCNH P51946 3/20 0.65
CCNA1 P78396 3/20 0.65
MAPK8 P45983 1/20 0.58
MAPK10 P53779 1/20 0.58
IGF1R P08069 1/20 0.52
JAK2 O60674 1/20 0.52
CHUK O15111 1/20 0.51

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
SCHEMBL3520377 0.86 IKBKB (0.60) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3520298 0.85 IKBKB (0.76) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3517546 0.83 IKBKB (0.73) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL13051459 0.83 IKBKB (0.56) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3518369 0.82 IKBKB (0.71) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3519328 0.82 IKBKB (0.91) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3516379 0.82 IKBKB (0.71) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL12423196 0.82 IKBKB (0.65) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL12423171 0.81 IKBKB (0.55) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL12423166 0.81 SYK (0.58) IKBKBDKK1GSK3BCDK2CDK1

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 11 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
CN-101460491-A Anilino-pyrimidine phenyl and benzothiophene analogs WYETH CORP (US) 2009-06-17 CN disclosed
EP-2004638-A1 ANILINO-PYRIMIDINE PHENYL AND BENZOTHIOPHENE ANALOGS Wyeth a Corporation of the State of Delaware (US) 2008-12-24 EP disclosed
WO-2007120593-A1 ANILINO-PYRIMIDINE PHENYL AND BENZOTHIOPHENE ANALOGS WYETH (US) 2007-10-25 WO disclosed
US-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs WYETH (US) 2007-10-18 US disclosed
CN-101039919-A N-benzenesulfonyl substituted anilino-pyrimidine analogs WYETH CORP (US) 2007-09-19 CN disclosed
EP-1799652-A1 N-BENZENESULFONYL SUBSTITUTED ANILINO-PYRIMIDINE ANALOGS Wyeth (US) 2007-06-27 EP disclosed
WO-2006044457-A1 N-BENZENESULFONYL SUBSTITUTED ANILINO-PYRIMIDINE ANALOGS WYETH (US) 2006-04-27 WO 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-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs HPRT1, APRT, NUDT1 IKBKB 3482/4885DKK1 2698/4885GSK3B 1720/4885
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.