SCHEMBL14496339

SCHEMBL14496339

COc1cccc(NCC(=O)N/N=C/c2ccncc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 19/20 1.00
GRK3 P35626 8/20 1.00
GRK5 P34947 4/20 1.00
ROCK2 O75116 3/20 1.00

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
SCHEMBL14496411 0.93 GRK2 (1.00) GRK2GRK3GRK5ROCK2
SCHEMBL14496445 0.90 GRK2 (0.81) GRK2GRK3GRK5ROCK2
SCHEMBL14496369 0.89 GRK2 (0.80) GRK2GRK3GRK5ROCK2
SCHEMBL14496360 0.89 GRK2 (1.00) GRK2GRK3GRK5ROCK2
SCHEMBL14496353 0.88 GRK2 (1.00) GRK2GRK3GRK5ROCK2
SCHEMBL14513792 0.86 GRK2 (0.76) GRK2GRK3GRK5ROCK2
SCHEMBL14496447 0.86 GRK2 (0.76) GRK2GRK3GRK5ROCK2
SCHEMBL14496415 0.86 GRK2 (1.00) GRK2GRK3GRK5ROCK2
SCHEMBL5325627 0.85 GRK2 (1.00) GRK2GRK3GRK5ROCK2
SCHEMBL14496343 0.85 GRK2 (1.00) GRK2GRK3GRK5ROCK2

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 3 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
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.