SCHEMBL3518573

SCHEMBL3518573

CN1CCN(c2ccc(-c3ccnc(Nc4ccc(S(N)(=O)=O)cc4)n3)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.79
IKBKB O14920 10/20 0.65
MAPK8 P45983 1/20 0.65
MAPK10 P53779 1/20 0.65
CHUK O15111 2/20 0.63
JAK3 P52333 3/20 0.61
SMG1 Q96Q15 2/20 0.61
MTOR P42345 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
DKK1 O94907 1/20 0.58
GSK3B P49841 1/20 0.58

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
SCHEMBL3518338 0.89 JAK2 (0.82) JAK2IKBKBMAPK8MAPK10CHUK
SCHEMBL3521591 0.88 JAK2 (1.00) JAK2IKBKBMAPK8MAPK10CHUK
SCHEMBL7476832 0.83 JAK2 (0.72) JAK2IKBKBCHUKJAK3HDAC1
SCHEMBL15212479 0.83 JAK2 (0.76) JAK2IKBKBCHUKJAK3HDAC1
SCHEMBL10192774 0.83 JAK2 (0.69) JAK2IKBKBCHUKJAK3HDAC1
SCHEMBL4383450 0.82 JAK2 (1.00) JAK2IKBKBCHUKJAK3HDAC1
SCHEMBL3522413 0.82 IKBKB (0.69) JAK2IKBKBMAPK8MAPK10CHUK
SCHEMBL10346581 0.82 JAK2 (0.70) JAK2IKBKBMAPK8MAPK10CHUK
SCHEMBL3518049 0.81 IKBKB (0.79) JAK2IKBKBMAPK8MAPK10CHUK
SCHEMBL13555628 0.81 JAK2 (0.72) JAK2IKBKBCHUKJAK3HDAC1

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 JAK2 341/4885IKBKB 3246/4885MAPK8 3605/4885

“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.