SCHEMBL3519410

SCHEMBL3519410

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

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.79
MAPK8 P45983 1/20 0.74
MAPK10 P53779 1/20 0.74
DKK1 O94907 2/20 0.69
GSK3B P49841 2/20 0.69
JAK2 O60674 1/20 0.65
CHUK O15111 1/20 0.64
MEN1 O00255 1/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.59
ALOX15 P16050 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL3519764 0.88 IKBKB (0.97) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3520622 0.87 IKBKB (0.79) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3516622 0.87 IKBKB (1.00) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3518049 0.87 IKBKB (0.79) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3519939 0.87 IKBKB (1.00) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3520123 0.85 IKBKB (0.74) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3517290 0.84 IKBKB (0.78) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3520628 0.84 IKBKB (0.74) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL3518043 0.84 IKBKB (0.74) IKBKBMAPK8MAPK10DKK1GSK3B
SCHEMBL4028080 0.84 IKBKB (0.74) 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 12 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
US-20080275073-A1 CRYSTALLINE FORMS AND POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS PHARMACEUTICALLY ACCEPTABLE SALTS WYETH (US) 2008-11-06 US disclosed
US-20080262008-A1 useful for inhibiting protein kinase activity; heating an amount of one crystalline polymorph of the compound of formula I as the pharmaceutically acceptable salt to a temperature that converts it to a different crystalline polymorph WYETH (US) 2008-10-23 US disclosed
US-20080262009-A1 CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS ACETATE SALTS WYETH (US) 2008-10-23 US disclosed
US-20080262010-A1 CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS D-GLUCORONATE SALTS WYETH (US) 2008-10-23 US 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
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 (6 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-20080275073-A1 CRYSTALLINE FORMS AND POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS PHARMACEUTICALLY ACCEPTABLE SALTS ABCG2, CYP3A43, CYP2D6 IKBKB 4165/4885MAPK8 4424/4885MAPK10 4473/4885
US-20080262009-A1 CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS ACETATE SALTS CYP2F1, CYP4B1, CYP3A4 IKBKB 4538/4885MAPK8 4352/4885MAPK10 4350/4885
US-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs HPRT1, APRT, NUDT1 IKBKB 3482/4885MAPK8 4342/4885MAPK10 3605/4885
US-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 IKBKB 3246/4885MAPK8 3605/4885MAPK10 3905/4885
US-20080262010-A1 CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS D-GLUCORONATE SALTS GALE, UGGT1, UGT1A3 IKBKB 4349/4885MAPK8 4180/4885MAPK10 3546/4885
US-20080262008-A1 useful for inhibiting protein kinase activity; heating an amount of one crystalline polymorph of the compound of formula I as the pharmaceutically acceptable salt to a temperature that converts it to a different crystalline polymorph CSNK1A1, PRKX, PRKACA IKBKB 327/4885MAPK8 127/4885MAPK10 117/4885

“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.