SCHEMBL214227

SCHEMBL214227

Cc1cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 1/20 0.50
GPR119 Q8TDV5 8/20 0.49
KDM4E B2RXH2 3/20 0.48
HTT P42858 1/20 0.48
SLC2A1 P11166 1/20 0.47
CHEK2 O96017 1/20 0.47
ALDH1A1 P00352 1/20 0.46
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46

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
SCHEMBL2492025 0.89 GPR119 (0.56) GPR119SLC2A1CHEK2
SCHEMBL21632980 0.87 CHEK2 (0.51) GPR119SLC2A1CHEK2
SCHEMBL216209 0.87 CHEK2 (0.49) LMNAGPR119SLC2A1CHEK2ALDH1A1
SCHEMBL215878 0.86 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5316776 0.85 GPR119 (0.52) GPR119SLC2A1CHEK2
SCHEMBL214982 0.84 GPR119 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2735457 0.84 SIGMAR1 (0.60) KMT2ALMNAGPR119CHEK2ALDH1A1
SCHEMBL29129106 0.83 RAB9A (0.72) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL215986 0.83 CHEK2 (0.52) GPR119KDM4ESLC2A1CHEK2
SCHEMBL1645375 0.82 GPR119 (0.58) GPR119CHEK2

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 8 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-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
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 NPC1 3307/4885RAB9A 2213/4885SMN1; SMN2 2516/4885

“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.