SCHEMBL3519790

SCHEMBL3519790

CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)O)cc3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.70
CDK2 P24941 7/20 0.57
CDK4 P11802 3/20 0.52
CDK1 P06493 1/20 0.52
JAK2 O60674 2/20 0.51
JAK3 P52333 1/20 0.51
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CHUK O15111 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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 0.90 IKBKB (0.73) IKBKBCDK2CDK4CDK1CA12
SCHEMBL3517197 0.89 IKBKB (0.68) IKBKBCDK2CDK4CDK1JAK2
SCHEMBL3519868 0.89 IKBKB (0.68) IKBKBCDK2CDK4CDK1JAK2
SCHEMBL3517815 0.89 IKBKB (0.69) IKBKBCDK2CDK4CDK1JAK2
SCHEMBL3520259 0.89 IKBKB (0.65) IKBKBCDK2CDK4CDK1JAK2
SCHEMBL3519740 0.89 IKBKB (0.75) IKBKBCDK2CDK4CDK1CA12
SCHEMBL3521274 0.88 IKBKB (0.71) IKBKBCDK2CDK4CDK1CA12
SCHEMBL3517601 0.88 IKBKB (0.73) IKBKBCDK2CDK4CDK1CA12
SCHEMBL3521405 0.88 IKBKB (0.73) IKBKBCDK2CDK4CDK1CHUK
SCHEMBL3521888 0.88 IKBKB (0.78) IKBKBCDK2CDK4CDK1CA12

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.