SCHEMBL3518974

SCHEMBL3518974

O=S(=O)(NCCCN1CCOCC1)c1ccc(Nc2nccc(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.56
CHUK O15111 1/20 0.56
EPHX2 P34913 4/20 0.55
JAK2 O60674 4/20 0.53
KMT2A Q03164 1/20 0.49
CDK4 P11802 1/20 0.49
CDK2 P24941 1/20 0.49
JAK3 P52333 2/20 0.49
HTR7 P34969 2/20 0.47
SMG1 Q96Q15 1/20 0.47
NEK1 Q96PY6 1/20 0.47
POLB P06746 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
SCHEMBL3516525 0.95 EPHX2 (0.61) IKBKBCHUKEPHX2JAK2CDK4
SCHEMBL3522490 0.90 JAK2 (0.51) IKBKBEPHX2JAK2KMT2ACDK4
SCHEMBL3519561 0.89 JAK2 (0.59) IKBKBCHUKJAK2KMT2ACDK4
SCHEMBL3518248 0.89 JAK2 (0.56) IKBKBCHUKJAK2KMT2ACDK4
SCHEMBL3522180 0.87 JAK2 (0.54) IKBKBJAK2KMT2ACDK4CDK2
SCHEMBL3516458 0.87 POLB (0.59) IKBKBCHUKJAK2KMT2ACDK4
SCHEMBL3521529 0.87 IKBKB (0.54) IKBKBJAK2KMT2ACDK4CDK2
SCHEMBL3521975 0.86 POLB (0.54) IKBKBCHUKJAK2KMT2ACDK4
SCHEMBL3520398 0.85 JAK2 (0.57) IKBKBCHUKJAK2CDK4CDK2
SCHEMBL3520074 0.85 JAK2 (0.53) IKBKBCHUKEPHX2JAK2JAK3

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 3246/4885CHUK 2096/4885EPHX2 2137/4885

“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.