SCHEMBL3516669

SCHEMBL3516669

COc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)CCN4CCCCC4)cc3)n2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.49
JAK3 P52333 3/20 0.49
ZAP70 P43403 3/20 0.47
IKBKB O14920 5/20 0.46
CHUK O15111 3/20 0.46
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
MTOR P42345 1/20 0.45
SMG1 Q96Q15 1/20 0.45
CDK4 P11802 2/20 0.43
CDK2 P24941 2/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43

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
SCHEMBL3519683 0.92 CDK4 (0.53) JAK2JAK3ZAP70IKBKBCHUK
SCHEMBL3520531 0.88 SRC (0.52) JAK2JAK3IKBKBABL1CDK4
SCHEMBL3518688 0.86 IKBKB (0.63) JAK2JAK3IKBKBCHUK
SCHEMBL3516442 0.82 CDK2 (0.57) IKBKBCHUKABL1BCRCDK4
SCHEMBL3521014 0.81 JAK2 (0.51) JAK2JAK3ZAP70IKBKBABL1
SCHEMBL3595329 0.80 IKBKB (0.51) IKBKBCHUK
SCHEMBL3518636 0.80 JAK2 (0.50) JAK2JAK3ZAP70IKBKBABL1
SCHEMBL3520363 0.79 IKBKB (0.48) JAK2JAK3IKBKBCHUKCCNT1
SCHEMBL3524787 0.78 IKBKB (0.61) JAK2JAK3IKBKBCHUKSMG1
SCHEMBL3516415 0.75 IKBKB (0.59) IKBKBCDK4CDK2CCNT1CDK9

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 3 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-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 1251/4885ZAP70 1738/4885

“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.