SCHEMBL214340

SCHEMBL214340

CC(C)(C)OC(=O)N1CCC(Oc2ccc3[nH]c(N)nc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.58
GPR119 Q8TDV5 6/20 0.52
HRH3 Q9Y5N1 1/20 0.47
ALK Q9UM73 1/20 0.45
PDE10A Q9Y233 1/20 0.44
KDM1A O60341 1/20 0.44

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
Bromide SCHEMBL216085 0.99 CHEK2 (0.57) CHEK2GPR119HRH3ALKPDE10A
SCHEMBL2735417 0.86 CHEK2 (0.60) CHEK2GPR119
Bromide SCHEMBL215056 0.85 CHEK2 (0.59) CHEK2GPR119
SCHEMBL213144 0.80 PDE3B (0.50) CHEK2GPR119
SCHEMBL215797 0.80 GPR119 (0.59) CHEK2GPR119HRH3ALKKDM1A
SCHEMBL215559 0.80 MAPT (0.49) GPR119ALK
SCHEMBL264162 0.79 GPR119 (0.67) CHEK2GPR119HRH3KDM1A
SCHEMBL1552726 0.79 CHEK2 (0.87) CHEK2GPR119
SCHEMBL15586785 0.79 GPR119 (0.53) CHEK2GPR119HRH3ALK
SCHEMBL5401649 0.79 PIK3CD (0.55) CHEK2GPR119HRH3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 CHEK2 412/4885GPR119 2016/4885HRH3 1553/4885

“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.