SCHEMBL3518329

SCHEMBL3518329

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.66
LMNA P02545 3/20 0.57
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ABL1 P00519 1/20 0.49
PDGFRB P09619 1/20 0.49
SRC P12931 1/20 0.49
PDGFRA P16234 1/20 0.49
TSHR P16473 1/20 0.49
CDK2 P24941 4/20 0.49
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
CCNE2 O96020 1/20 0.46
CCNE1 P24864 1/20 0.46
GSK3B P49841 1/20 0.46
JAK2 O60674 1/20 0.44

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
SCHEMBL3520829 0.95 IKBKB (0.65) IKBKBLMNANPSR1ALDH1A1ABL1
SCHEMBL3516470 0.88 IKBKB (0.70) IKBKBLMNANPSR1ALDH1A1CDK2
SCHEMBL3518389 0.86 IKBKB (0.62) IKBKBLMNAALDH1A1CDK2CDK1
SCHEMBL3519790 0.86 IKBKB (0.70) IKBKBCDK2CDK1CDK4JAK2
SCHEMBL3518983 0.86 IKBKB (0.61) IKBKBLMNAALDH1A1CDK2CDK1
SCHEMBL3518065 0.83 IKBKB (0.51) IKBKBLMNANPSR1ALDH1A1ABL1
SCHEMBL3517846 0.83 IKBKB (0.73) IKBKBCDK2CDK1CDK4
SCHEMBL3517828 0.82 IKBKB (0.72) IKBKBLMNANPSR1ALDH1A1CDK2
SCHEMBL3517197 0.82 IKBKB (0.68) IKBKBCDK2CDK1CDK4JAK2
SCHEMBL3518240 0.82 IKBKB (0.70) IKBKBALDH1A1CDK2CDK1CDK4

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 3246/4885LMNA 3544/4885NPSR1 284/4885

“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.