SCHEMBL3521014

SCHEMBL3521014

COc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCN4CCOCC4)cc3)n2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.51
JAK3 P52333 4/20 0.51
NEK1 Q96PY6 1/20 0.50
ABL1 P00519 2/20 0.49
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
SMG1 Q96Q15 1/20 0.48
CD274 Q9NZQ7 1/20 0.47
IKBKB O14920 1/20 0.47
ZAP70 P43403 1/20 0.47
CDK2 P24941 2/20 0.46
CDK4 P11802 1/20 0.46
BCR P11274 1/20 0.46

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
SCHEMBL3518636 0.95 JAK2 (0.50) JAK2JAK3ABL1ALDH1A1SMG1
SCHEMBL3518274 0.93 JAK2 (0.56) JAK2JAK3NEK1ABL1CA12
SCHEMBL3520531 0.93 SRC (0.52) JAK2JAK3NEK1ABL1IKBKB
SCHEMBL3519683 0.89 CDK4 (0.53) JAK2JAK3ABL1SMG1CD274
SCHEMBL3522695 0.88 JAK2 (0.54) JAK2JAK3ABL1SMG1IKBKB
SCHEMBL3520471 0.87 IKBKB (0.59) JAK2JAK3NEK1ABL1CA12
SCHEMBL3520398 0.86 JAK2 (0.57) JAK2JAK3NEK1ABL1CA12
SCHEMBL3520474 0.84 JAK2 (0.61) JAK2JAK3NEK1ABL1CA12
SCHEMBL3519961 0.84 JAK2 (0.57) JAK2JAK3NEK1ABL1CA12
SCHEMBL3515574 0.83 IKBKB (0.64) NEK1IKBKBCDK2CDK4

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 341/4885JAK3 1251/4885NEK1 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.