SCHEMBL3518653

SCHEMBL3518653

O=S(=O)(NCCN1CCOCC1)c1ccc(Nc2nccc(-c3ccc(O)cc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.59
JAK2 O60674 10/20 0.57
NEK1 Q96PY6 1/20 0.54
CA12 O43570 1/20 0.54
ABL1 P00519 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
JAK3 P52333 5/20 0.52
SMG1 Q96Q15 1/20 0.50
NAMPT P43490 1/20 0.49
HDAC3 O15379 1/20 0.49
NCOR1 O75376 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CDK4 P11802 1/20 0.48
CDK2 P24941 1/20 0.48

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
SCHEMBL3520398 0.91 JAK2 (0.57) IKBKBJAK2NEK1CA12ABL1
SCHEMBL3519961 0.91 JAK2 (0.57) IKBKBJAK2NEK1CA12ABL1
SCHEMBL3520474 0.91 JAK2 (0.61) IKBKBJAK2NEK1CA12ABL1
SCHEMBL3520771 0.91 JAK2 (0.58) IKBKBJAK2NEK1CA12ABL1
SCHEMBL3520471 0.89 IKBKB (0.59) IKBKBJAK2NEK1CA12ABL1
SCHEMBL3516525 0.89 EPHX2 (0.61) IKBKBJAK2NEK1CA12ABL1
SCHEMBL3520074 0.87 JAK2 (0.53) IKBKBJAK2NEK1CA12ABL1
SCHEMBL3519561 0.86 JAK2 (0.59) IKBKBJAK2NEK1CA12ABL1
SCHEMBL3518248 0.86 JAK2 (0.56) IKBKBJAK2CA12ABL1CA2
SCHEMBL3521529 0.85 IKBKB (0.54) IKBKBJAK2JAK3HDAC3NCOR1

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 3246/4885JAK2 341/4885NEK1 1375/4885

“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.