SCHEMBL216252

SCHEMBL216252

Nc1ccc(OCC2CCN(C(=O)O)CC2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.47
PARP10 Q53GL7 7/20 0.44
PARP15 Q460N3 6/20 0.44
PARP2 Q9UGN5 2/20 0.44
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
F2 P00734 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL214491 0.85 PARP15 (0.51) F10PARP10PARP15PARP2GRIN2D
SCHEMBL215401 0.84 SIGMAR1 (0.48) F10F2SIGMAR1
SCHEMBL215733 0.83 CHEK2 (0.54)
SCHEMBL9828524 0.81 PARP10 (0.50) PARP10PARP15PARP2
SCHEMBL12813444 0.80 GRIN2D (0.53) PARP10PARP15PARP2GRIN2DGRIN3B
SCHEMBL20982684 0.80 MAOA (0.52) F10
SCHEMBL796332 0.80 GRIN2D (0.55) PARP10PARP15PARP2GRIN2DGRIN3B
SCHEMBL216274 0.79 SRD5A1 (0.43)
SCHEMBL13519209 0.79 MEN1 (0.56) SIGMAR1
SCHEMBL5207764 0.79 POLB (0.56) PARP10PARP15PARP2

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-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
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 F10 2963/4885PARP10 2012/4885PARP15 1965/4885

“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.