SCHEMBL3520829

SCHEMBL3520829

CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)c4cccs4)cc3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.65
CDK2 P24941 4/20 0.54
LMNA P02545 2/20 0.54
CDK1 P06493 1/20 0.53
CDK4 P11802 1/20 0.53
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ABL1 P00519 1/20 0.51
PDGFRB P09619 1/20 0.51
SRC P12931 1/20 0.51
PDGFRA P16234 1/20 0.51
CCNE2 O96020 1/20 0.51
CCNE1 P24864 1/20 0.51
GSK3B P49841 1/20 0.51
PHGDH O43175 1/20 0.47
CDC7 O00311 1/20 0.46
CDK19 Q9BWU1 1/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL3518329 0.95 IKBKB (0.66) IKBKBCDK2LMNACDK1CDK4
SCHEMBL3517828 0.87 IKBKB (0.72) IKBKBCDK2LMNACDK1CDK4
SCHEMBL3518065 0.85 IKBKB (0.51) IKBKBLMNAALDH1A1TSHRNPSR1
SCHEMBL3519734 0.84 IKBKB (0.59) IKBKBCDK2LMNACDK1CDK4
SCHEMBL3516470 0.83 IKBKB (0.70) IKBKBCDK2LMNACDK1CDK4
SCHEMBL3520093 0.82 IKBKB (0.72) IKBKBCDK2CDK1CDK4CCNE2
SCHEMBL3520630 0.82 IKBKB (0.70) IKBKBCDK2LMNACDK1CDK4
SCHEMBL3522127 0.82 IKBKB (0.69) IKBKBCDK2CDK1CDK4ALDH1A1
SCHEMBL3516422 0.81 IKBKB (0.64) IKBKBCDK2CDK1CDK4CCNE2
SCHEMBL3522186 0.81 IKBKB (0.71) IKBKBCDK2CDK1CDK4CCNE2

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 11/4885LMNA 3544/4885

“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.