SCHEMBL3516689

SCHEMBL3516689

Nc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.73
SRC P12931 7/20 0.54
JAK2 O60674 3/20 0.53
JAK3 P52333 2/20 0.53
ABL1 P00519 1/20 0.52
NEK1 Q96PY6 1/20 0.52
PDGFRB P09619 2/20 0.51
YES1 P07947 1/20 0.51
EPHB4 P54760 1/20 0.51
CHUK O15111 1/20 0.49
SYK P43405 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
SCHEMBL3521505 0.88 KDM4E (0.66) IKBKBSRCJAK2JAK3NEK1
SCHEMBL3518431 0.85 IKBKB (1.00) IKBKBSYK
SCHEMBL3521929 0.83 IKBKB (0.67) IKBKBSRCJAK2JAK3PDGFRB
SCHEMBL3521199 0.83 IKBKB (0.67) IKBKBSRCJAK2JAK3CHUK
SCHEMBL3520771 0.82 JAK2 (0.58) IKBKBJAK2JAK3ABL1NEK1
SCHEMBL3518653 0.82 IKBKB (0.59) IKBKBJAK2JAK3ABL1NEK1
SCHEMBL3520398 0.82 JAK2 (0.57) IKBKBJAK2JAK3ABL1NEK1
SCHEMBL3519961 0.82 JAK2 (0.57) IKBKBJAK2JAK3ABL1NEK1
SCHEMBL3520474 0.82 JAK2 (0.61) IKBKBJAK2JAK3ABL1NEK1
SCHEMBL264216 0.82 SRC (0.54) SRCABL1NEK1PDGFRBYES1

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 3246/4885SRC 2516/4885JAK2 341/4885

“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.