SCHEMBL5329635

SCHEMBL5329635

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 16/20 0.55
GRK3 P35626 10/20 0.55
GRK5 P34947 3/20 0.55
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK2 O75116 2/20 0.39
PARP1 P09874 1/20 0.38
ROCK1 Q13464 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL5539705 0.87 GRK2 (0.56) GRK2GRK3GRK5ROCK2
SCHEMBL5537464 0.86 CYP17A1 (0.39) GRK2GRK3GRK5MEN1KMT2A
SCHEMBL5535879 0.86 GRK2 (0.57) GRK2GRK3GRK5MEN1KMT2A
SCHEMBL5545993 0.83 GRK2 (0.59) GRK2GRK3ROCK2ROCK1
SCHEMBL5533048 0.82 CA1 (0.57) GRK2GRK3GRK5KMT2AROCK2
SCHEMBL5536140 0.82 CYP17A1 (0.47) GRK2GRK3GRK5MEN1KMT2A
SCHEMBL5537408 0.78 GRK2 (0.43) GRK2GRK3GRK5MEN1KMT2A
SCHEMBL5533006 0.77 GRK2 (0.64) GRK2
SCHEMBL5543418 0.72 GRK2 (0.56) GRK2GRK3GRK5MEN1KMT2A
SCHEMBL28761689 0.72 GRK2 (0.57) GRK2GRK3GRK5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135499-A1 Hydrazide compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-14 US disclosed
WO-2007008942-A2 PHENYLAMINO-ACETIC ACID [1-(PYRIDIN-4-YL)-METHYLIDENE]-HYDRAZIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF G PROTEIN-COUPLED RECEPTOR KINASES FOR THE TREATMENT OF EYE DISEASES AERIE PHARMACEUTICALS, INC. (US) 2007-01-18 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-20070135499-A1 Hydrazide compounds GRK4, GRK2, GRK1 GRK2 2/4885GRK3 4/4885GRK5 5/4885

“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.