SCHEMBL3520074

SCHEMBL3520074

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.53
IKBKB O14920 4/20 0.52
NEK1 Q96PY6 1/20 0.51
ABL1 P00519 6/20 0.50
BCR P11274 5/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
JAK3 P52333 2/20 0.49
EPHX2 P34913 1/20 0.49
SMG1 Q96Q15 1/20 0.47
CHUK O15111 2/20 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
SCHEMBL3522490 0.95 JAK2 (0.51) JAK2IKBKBABL1BCRJAK3
SCHEMBL3516525 0.90 EPHX2 (0.61) JAK2IKBKBNEK1ABL1BCR
SCHEMBL3520471 0.90 IKBKB (0.59) JAK2IKBKBNEK1ABL1CA12
SCHEMBL3520398 0.89 JAK2 (0.57) JAK2IKBKBNEK1ABL1CA12
SCHEMBL3518653 0.87 IKBKB (0.59) JAK2IKBKBNEK1ABL1CA12
SCHEMBL3519961 0.87 JAK2 (0.57) JAK2IKBKBNEK1ABL1CA12
SCHEMBL3520474 0.87 JAK2 (0.61) JAK2IKBKBNEK1ABL1CA12
SCHEMBL3520771 0.87 JAK2 (0.58) JAK2IKBKBNEK1ABL1CA12
SCHEMBL3516458 0.85 POLB (0.59) JAK2IKBKBJAK3CHUK
SCHEMBL3518974 0.85 IKBKB (0.56) JAK2IKBKBNEK1JAK3EPHX2

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 3246/4885NEK1 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.