SCHEMBL13336352

SCHEMBL13336352

CC(C)(C)OC(=O)N1CCC(Oc2cc3nc(Nc4cccc(C5CCOCC5)c4)ncc3cc2Br)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.44
JAK3 P52333 8/20 0.44
PTK2 Q05397 7/20 0.44
IGF1R P08069 2/20 0.42
EGFR P00533 4/20 0.41
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
IKBKB O14920 1/20 0.39
LRRK2 Q5S007 2/20 0.39
ALK Q9UM73 2/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL12671571 0.87 IGF1R (0.40) JAK2JAK3PTK2IGF1REGFR
SCHEMBL1570314 0.87 IKBKB (0.45) JAK2JAK3PTK2IGF1REGFR
SCHEMBL1572268 0.87 IGF1R (0.43) JAK2JAK3PTK2IGF1REGFR
SCHEMBL1570949 0.87 TBK1 (0.46) JAK2JAK3IGF1REGFRJAK1
SCHEMBL1572127 0.86 EGFR (0.46) JAK2JAK3IGF1REGFRJAK1
SCHEMBL1633896 0.85 TBK1 (0.48) JAK2IGF1REGFRLRRK2
SCHEMBL1872243 0.85 GPR119 (0.44) JAK2JAK3PTK2IGF1REGFR
SCHEMBL1571689 0.84 EGFR (0.51) JAK2JAK3IGF1REGFRJAK1
SCHEMBL3320675 0.81 CHEK2 (0.47) JAK2JAK3IGF1RIKBKBPDE4B
SCHEMBL12671180 0.81 JAK3 (0.51) JAK2JAK3PTK2IGF1RALK

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-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 WO 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-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 JAK2 1056/4885JAK3 1979/4885PTK2 444/4885

“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.