SCHEMBL4877301

SCHEMBL4877301

COc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)N(CCCN(C)C)OC(C)=O)cc3)n2)cc1CF

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.46
CDK2 P24941 6/20 0.44
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
JAK2 O60674 3/20 0.39
JAK3 P52333 2/20 0.39
FLT3 P36888 1/20 0.39
CDK4 P11802 1/20 0.39
CDK1 P06493 2/20 0.39
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
SYK P43405 1/20 0.39
SMG1 Q96Q15 1/20 0.39
DKK1 O94907 1/20 0.39
GSK3B P49841 1/20 0.39
CDC7 O00311 1/20 0.38
CDK19 Q9BWU1 1/20 0.38

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
SCHEMBL4877883 0.91 IKBKB (0.47) IKBKBCDK2ABL1BCRJAK2
Acetic Acid SCHEMBL4877291 0.85 IKBKB (0.59) IKBKBCDK2ABL1BCRCDK4
SCHEMBL4880084 0.83 IKBKB (0.63) IKBKBCDK2ABL1BCRCDK4
Acetic Acid SCHEMBL4877880 0.75 IKBKB (0.60) IKBKBCDK2ABL1BCRCDK4
SCHEMBL3516442 0.75 CDK2 (0.57) IKBKBCDK2ABL1BCRCDK4
SCHEMBL3520345 0.74 IKBKB (0.57) IKBKBCDK2JAK2JAK3
SCHEMBL3521750 0.74 IKBKB (0.65) IKBKBCDK2CDK4CDK1
SCHEMBL4872194 0.72 IKBKB (0.62) IKBKBCDK2CDK4CDK1
SCHEMBL3515574 0.72 IKBKB (0.64) IKBKBCDK2CDK4CDK1
SCHEMBL3522199 0.71 IKBKB (0.65) IKBKBCDK2CDK4CDK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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 188/4885ABL1 4064/4885

“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.