SCHEMBL3320675

SCHEMBL3320675

CC(C)(C)OC(=O)N1CCC(Oc2cc3nc(Nc4ccc(C(N)=O)cc4)ncc3cc2Br)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.47
SYK P43405 1/20 0.46
IGF1R P08069 3/20 0.45
GPR119 Q8TDV5 2/20 0.45
IKBKB O14920 1/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
JAK2 O60674 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
MAPT P10636 1/20 0.41
JAK3 P52333 3/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL1570314 0.90 IKBKB (0.45) SYKIGF1RGPR119IKBKBPDE4A
SCHEMBL1633896 0.87 TBK1 (0.48) SYKIGF1RGPR119JAK2TBK1
SCHEMBL1572268 0.85 IGF1R (0.43) IGF1RGPR119IKBKBPDE4APDE4B
SCHEMBL1570949 0.85 TBK1 (0.46) IGF1RGPR119IKBKBJAK2TBK1
SCHEMBL3320965 0.85 IGF1R (0.42) CHEK2SYKIGF1RGPR119IKBKB
SCHEMBL1572127 0.84 EGFR (0.46) IGF1RIKBKBJAK2MAPTJAK3
SCHEMBL13336350 0.83 IGF1R (0.41) SYKIGF1RIKBKBPDE4APDE4B
SCHEMBL1872243 0.83 GPR119 (0.44) CHEK2IGF1RGPR119IKBKBJAK2
SCHEMBL3320678 0.82 TBK1 (0.39) SYKIGF1RIKBKBJAK2TBK1
SCHEMBL13336352 0.81 JAK2 (0.44) IGF1RIKBKBPDE4BJAK2JAK3

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-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
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 CHEK2 287/4885SYK 4070/4885IGF1R 364/4885

“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.