SCHEMBL5545993

SCHEMBL5545993

C=NN(C(=O)CNc1cccc(C(=O)Nc2cccnc2)c1)c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 3/20 0.59
LMNA P02545 1/20 0.48
HIF1A Q16665 1/20 0.48
EPHX2 P34913 1/20 0.48
ALDH1A1 P00352 1/20 0.47
NAMPT P43490 2/20 0.47
GRK3 P35626 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
BRAF P15056 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44

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 0.91 GRK2 (0.57) GRK2LMNAGRK3SIRT2ROCK2
SCHEMBL5539705 0.85 GRK2 (0.56) GRK2LMNAALDH1A1GRK3MAPT
SCHEMBL5329635 0.83 GRK2 (0.55) GRK2GRK3ROCK2ROCK1
SCHEMBL5536140 0.79 CYP17A1 (0.47) GRK2ALDH1A1GRK3L3MBTL1TSHR
SCHEMBL5543418 0.78 GRK2 (0.56) GRK2LMNAALDH1A1GRK3ROCK2
SCHEMBL5539470 0.76 GRK2 (0.59) GRK2LMNAGRK3MAPTROCK2
SCHEMBL5533006 0.76 GRK2 (0.64) GRK2EPHX2NAMPT
SCHEMBL5533048 0.75 CA1 (0.57) GRK2GRK3MAPTROCK2
SCHEMBL14496409 0.74 GRK2 (1.00) GRK2GRK3ROCK2
SCHEMBL30533390 0.73 LMNA (0.81) LMNAHIF1AALDH1A1NAMPTL3MBTL1

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 2/4885LMNA 3947/4885HIF1A 645/4885

“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.