SCHEMBL3521750

SCHEMBL3521750

COc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCCN(C)C)cc3)n2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 6/20 0.65
▸ CDK2 P24941 6/20 0.51
▸ CDK4 P11802 3/20 0.49
▸ CDK1 P06493 2/20 0.49
▸ CCNT1 O60563 7/20 0.47
▸ CDK9 P50750 7/20 0.47
▸ CYP19A1 P11511 1/20 0.45
▸ PLK1 P53350 1/20 0.45

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
Acetic Acid SCHEMBL4877880 0.96 IKBKB (0.60) IKBKBCDK2CDK4CDK1CCNT1
SCHEMBL3515574 0.95 IKBKB (0.64) IKBKBCDK2CDK4CDK1CCNT1
SCHEMBL3516415 0.91 IKBKB (0.59) IKBKBCDK2CDK4CDK1CCNT1
SCHEMBL3517971 0.91 IKBKB (0.53) IKBKBCDK2CDK1CDK9
SCHEMBL4880084 0.90 IKBKB (0.63) IKBKBCDK2CDK4CDK1CCNT1
SCHEMBL4872194 0.89 IKBKB (0.62) IKBKBCDK2CDK4CDK1CCNT1
SCHEMBL3516442 0.88 CDK2 (0.57) IKBKBCDK2CDK4CCNT1CDK9
SCHEMBL3521164 0.88 IKBKB (0.67) IKBKBCDK2CDK4CDK1
SCHEMBL3521723 0.88 IKBKB (0.50) IKBKBCDK2CDK4CDK1CCNT1
SCHEMBL3521501 0.88 IKBKB (0.50) IKBKBCDK2CDK1

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 20 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-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 claimed
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 claimed
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 claimed
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 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-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-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-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-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-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-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-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-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
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
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
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 (5 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 4165/4885CDK2 806/4885CDK4 1315/4885
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 4538/4885CDK2 188/4885CDK4 294/4885
US-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 IKBKB 3246/4885CDK2 11/4885CDK4 69/4885
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 4349/4885CDK2 660/4885CDK4 514/4885
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 327/4885CDK2 123/4885CDK4 717/4885

“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.

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