SCHEMBL4877883

SCHEMBL4877883

COc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)N(CCCN(C)C)OC(C)=O)cc3)n2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.47
ABL1 P00519 2/20 0.44
BCR P11274 2/20 0.44
CDK2 P24941 3/20 0.43
CDC7 O00311 1/20 0.41
CDK19 Q9BWU1 1/20 0.41
CCNT1 O60563 5/20 0.41
CDK9 P50750 5/20 0.41
JAK2 O60674 2/20 0.40
JAK3 P52333 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL4877301 0.91 IKBKB (0.46) IKBKBABL1BCRCDK2CDC7
SCHEMBL3516442 0.84 CDK2 (0.57) IKBKBABL1BCRCDK2CCNT1
Acetic Acid SCHEMBL4877880 0.84 IKBKB (0.60) IKBKBABL1BCRCDK2CCNT1
SCHEMBL3521750 0.83 IKBKB (0.65) IKBKBCDK2CCNT1CDK9
SCHEMBL3515574 0.81 IKBKB (0.64) IKBKBCDK2CCNT1CDK9
SCHEMBL3517971 0.76 IKBKB (0.53) IKBKBABL1BCRCDK2CDC7
SCHEMBL3516415 0.76 IKBKB (0.59) IKBKBCDK2CCNT1CDK9
Acetic Acid SCHEMBL4877291 0.75 IKBKB (0.59) IKBKBABL1BCRCDK2CCNT1
SCHEMBL3521723 0.75 IKBKB (0.50) IKBKBABL1BCRCDK2CDC7
SCHEMBL3521501 0.75 IKBKB (0.50) IKBKBABL1BCRCDK2CDC7

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 4538/4885ABL1 4064/4885BCR 3942/4885

“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.