SCHEMBL3520531

SCHEMBL3520531

COc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)n2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.52
PDGFRB P09619 3/20 0.51
SYK P43405 1/20 0.50
IKBKB O14920 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
CDK2 P24941 2/20 0.48
CDK4 P11802 1/20 0.48
ABL1 P00519 1/20 0.48
NEK1 Q96PY6 1/20 0.47
YES1 P07947 1/20 0.47
EPHB4 P54760 1/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47

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
SCHEMBL3521014 0.93 JAK2 (0.51) IKBKBCDK2CDK4ABL1NEK1
SCHEMBL3518636 0.88 JAK2 (0.50) SYKIKBKBCDK2CDK4ABL1
SCHEMBL3516669 0.88 JAK2 (0.49) IKBKBCDK2CDK4ABL1JAK2
SCHEMBL3518274 0.85 JAK2 (0.56) IKBKBCDK2CDK4ABL1NEK1
SCHEMBL3516415 0.85 IKBKB (0.59) IKBKBCDK2CDK4
SCHEMBL3515574 0.85 IKBKB (0.64) IKBKBCDK2CDK4NEK1
SCHEMBL3521750 0.83 IKBKB (0.65) IKBKBCDK2CDK4
SCHEMBL3516689 0.82 IKBKB (0.73) SRCPDGFRBSYKIKBKBABL1
SCHEMBL3519683 0.81 CDK4 (0.53) IKBKBCDK2CDK4ABL1JAK2
SCHEMBL3522695 0.81 JAK2 (0.54) SYKIKBKBCDK2CDK4ABL1

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 SRC 2516/4885PDGFRB 194/4885SYK 2271/4885

“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.