SCHEMBL213144

SCHEMBL213144

CC(C)(C)OC(=O)N1CCN(CCOc2ccc3[nH]c(N)nc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
GPR119 Q8TDV5 2/20 0.48
GPR4 P46093 1/20 0.48
DRD3 P35462 11/20 0.47
DRD2 P14416 6/20 0.47
EPHX2 P34913 1/20 0.46
CHEK2 O96017 1/20 0.45
KDR P35968 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR2B P41595 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL4115346 0.86 DRD3 (0.48) DRD3DRD2KDRADRB1HTR1A
SCHEMBL2735417 0.83 CHEK2 (0.60) GPR119CHEK2
SCHEMBL214173 0.82 DRD3 (0.49) DRD3DRD2HTR1ASIGMAR1
Bromide SCHEMBL215056 0.82 CHEK2 (0.59) PDE3BPDE3AGPR119CHEK2
SCHEMBL216291 0.80 EPHX2 (0.52) GPR119GPR4DRD3DRD2EPHX2
SCHEMBL214340 0.80 CHEK2 (0.58) GPR119CHEK2
SCHEMBL15938764 0.80 LTA4H (0.57) CHEK2KDR
SCHEMBL216843 0.79 LTA4H (0.44) DRD3DRD2HTR1A
Bromide SCHEMBL216085 0.79 CHEK2 (0.57) GPR119CHEK2
SCHEMBL14453658 0.79 DRD3 (0.54) GPR119GPR4DRD3DRD2EPHX2

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 PDE3B 1167/4885PDE3A 1390/4885GPR119 2016/4885

“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.