SCHEMBL5533006

SCHEMBL5533006

C=NN(C(=O)CNc1cccc(C(=O)NCCN2CCOCC2)c1)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 2/20 0.64
EPHX2 P34913 6/20 0.54
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
POLB P06746 2/20 0.47
NAMPT P43490 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK10 P53779 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HPGDS O60760 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CLK2 P49760 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45

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
SCHEMBL5537585 0.86 GRK2 (0.65) GRK2EPHX2CYP2C19CYP2C9POLB
SCHEMBL5539705 0.79 GRK2 (0.56) GRK2POLBSMN1; SMN2
SCHEMBL14496412 0.78 GRK2 (1.00) GRK2EPHX2
SCHEMBL5535879 0.78 GRK2 (0.57) GRK2POLB
SCHEMBL5329635 0.77 GRK2 (0.55) GRK2
SCHEMBL5545993 0.76 GRK2 (0.59) GRK2EPHX2NAMPT
SCHEMBL12514132 0.73 EPHX2 (0.73) GRK2EPHX2CYP2C19CYP2C9POLB
SCHEMBL16964606 0.72 SMN1; SMN2 (0.55) GRK2EPHX2CYP2C19CYP2C9NAMPT
SCHEMBL16964101 0.71 EPHX2 (0.61) GRK2EPHX2POLBNAMPTSMN1; SMN2
SCHEMBL14496328 0.71 GRK2 (1.00) GRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135499-A1 Hydrazide compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-14 US 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-20070135499-A1 Hydrazide compounds GRK4, GRK2, GRK1 GRK2 2/4885EPHX2 2838/4885CYP2C19 2711/4885

“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.