SCHEMBL214858

SCHEMBL214858

Cc1cc(OC2CN(C(=O)OC(C)(C)C)C2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.45
GPR119 Q8TDV5 4/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NR1H2 P55055 1/20 0.43
CHEK2 O96017 2/20 0.41
PDE4B Q07343 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
LIPE Q05469 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNB3 P54284 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNG7 P62955 1/20 0.39
CACNA1B Q00975 1/20 0.39

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
SCHEMBL15156555 0.90 USP30 (0.47) USP30GPR119HDAC1HDAC2NR1H2
SCHEMBL215713 0.88 GPR119 (0.57) GPR119CHEK2PDE4BHRH3ALDH1A1
Hydrochloric Acid SCHEMBL9013879 0.87 GPR119 (0.56) GPR119CHEK2PDE4BHRH3ALDH1A1
SCHEMBL21008677 0.86 USP30 (0.44) USP30GPR119HDAC1HDAC2NR1H2
SCHEMBL21633309 0.85 CHEK2 (0.44) USP30GPR119HDAC1HDAC2NR1H2
SCHEMBL3314495 0.85 PDE4B (0.48) USP30GPR119HDAC1HDAC2PDE4B
SCHEMBL6182215 0.84 USP30 (0.53) USP30GPR119NR1H2CHEK2LIPE
SCHEMBL26689697 0.83 HDAC1 (0.43) USP30GPR119HDAC1HDAC2NR1H2
SCHEMBL10190237 0.83 USP30 (0.43) USP30GPR119CHEK2PDE4BHRH3
SCHEMBL22348640 0.82 ALDH1A1 (0.44) USP30GPR119HDAC1HDAC2NR1H2

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 6 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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP 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 USP30 1282/4885GPR119 2016/4885HDAC1 2196/4885

“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.