SCHEMBL5535879

SCHEMBL5535879

C=NN(C(=O)CNc1cccc(C(=O)Nc2ccccc2)c1)c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 6/20 0.57
GRK3 P35626 4/20 0.57
ROCK2 O75116 2/20 0.49
PRKCA P17252 1/20 0.49
KCNK3 O14649 2/20 0.49
GRK5 P34947 1/20 0.47
HTT P42858 2/20 0.47
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47
LMNA P02545 1/20 0.45
NT5E P21589 1/20 0.44
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42

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
SCHEMBL5545993 0.91 GRK2 (0.59) GRK2GRK3ROCK2LMNASIRT2
SCHEMBL5539705 0.88 GRK2 (0.56) GRK2GRK3ROCK2PRKCAKCNK3
SCHEMBL5543418 0.87 GRK2 (0.56) GRK2GRK3ROCK2PRKCAKCNK3
SCHEMBL5329635 0.86 GRK2 (0.55) GRK2GRK3ROCK2GRK5KMT2A
SCHEMBL5539470 0.82 GRK2 (0.59) GRK2GRK3ROCK2PRKCAKCNK3
SCHEMBL5536140 0.81 CYP17A1 (0.47) GRK2GRK3ROCK2GRK5KMT2A
SCHEMBL5533006 0.78 GRK2 (0.64) GRK2POLB
SCHEMBL5533048 0.77 CA1 (0.57) GRK2GRK3ROCK2GRK5KMT2A
SCHEMBL5537408 0.75 GRK2 (0.43) GRK2GRK3ROCK2GRK5LMNA
SCHEMBL5537464 0.74 CYP17A1 (0.39) GRK2GRK3ROCK2GRK5NPC1

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 2/4885GRK3 4/4885ROCK2 757/4885

“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.