SCHEMBL5539705

SCHEMBL5539705

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 11/20 0.56
GRK3 P35626 8/20 0.56
ROCK2 O75116 3/20 0.48
GRK5 P34947 3/20 0.46
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
GFER P55789 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDR P35968 1/20 0.39
HTT P42858 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NT5E P21589 1/20 0.38
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL5535879 0.88 GRK2 (0.57) GRK2GRK3ROCK2GRK5LMNA
SCHEMBL5329635 0.87 GRK2 (0.55) GRK2GRK3ROCK2GRK5
SCHEMBL5545993 0.85 GRK2 (0.59) GRK2GRK3ROCK2LMNAMAPT
SCHEMBL5536140 0.82 CYP17A1 (0.47) GRK2GRK3ROCK2GRK5MAPT
SCHEMBL5533102 0.82 GRK2 (0.58) GRK2GRK3ROCK2GRK5KDR
SCHEMBL5533006 0.79 GRK2 (0.64) GRK2POLBSMN1; SMN2
SCHEMBL5533048 0.78 CA1 (0.57) GRK2GRK3ROCK2GRK5MAPT
SCHEMBL5537408 0.78 GRK2 (0.43) GRK2GRK3ROCK2GRK5LMNA
SCHEMBL5543418 0.77 GRK2 (0.56) GRK2GRK3ROCK2GRK5LMNA
SCHEMBL5537464 0.75 CYP17A1 (0.39) GRK2GRK3ROCK2GRK5MAPT

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.