SCHEMBL3520682

SCHEMBL3520682

CC(=O)Oc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCCN(C)C)cc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.67
CDK2 P24941 6/20 0.53
CDK4 P11802 3/20 0.50
CDK1 P06493 2/20 0.50
JAK2 O60674 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC1 Q13547 2/20 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
SCHEMBL3517846 0.87 IKBKB (0.73) IKBKBCDK2CDK4CDK1
SCHEMBL3519790 0.86 IKBKB (0.70) IKBKBCDK2CDK4CDK1JAK2
SCHEMBL3519740 0.86 IKBKB (0.75) IKBKBCDK2CDK4CDK1
SCHEMBL3521274 0.85 IKBKB (0.71) IKBKBCDK2CDK4CDK1
SCHEMBL3521405 0.85 IKBKB (0.73) IKBKBCDK2CDK4CDK1
SCHEMBL3521888 0.85 IKBKB (0.78) IKBKBCDK2CDK4CDK1
SCHEMBL3517601 0.85 IKBKB (0.73) IKBKBCDK2CDK4CDK1HDAC6
SCHEMBL3521886 0.85 IKBKB (0.73) IKBKBCDK2CDK4CDK1
SCHEMBL3520345 0.85 IKBKB (0.57) IKBKBCDK2JAK2HDAC6HDAC1
SCHEMBL3517070 0.84 IKBKB (0.59) IKBKBCDK2

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 4 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
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 (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-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 IKBKB 3246/4885CDK2 11/4885CDK4 69/4885

“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.