SCHEMBL5289271

SCHEMBL5289271

O=C(CNc1ccc(F)c(C(=O)NCc2ccccc2)c1)NN=Cc1ccncc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 14/20 0.46
GRK3 P35626 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ROCK2 O75116 4/20 0.45
GRK5 P34947 2/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 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
SCHEMBL5289250 1.00 GRK2 (0.46) GRK2GRK3MEN1KMT2AROCK2
SCHEMBL5329771 0.76 GRK2 (0.60) GRK2GRK3GRK5
SCHEMBL5329784 0.76 GRK2 (0.60) GRK2GRK3GRK5
SCHEMBL14496495 0.67 GRK2 (0.78) GRK2GRK3ROCK2GRK5
SCHEMBL28956689 0.66 KMT2A (0.61) KMT2ALMNAALDH1A1MAPTHPGD
SCHEMBL3715945 0.64 KMT2A (0.57) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL3717184 0.64 KMT2A (0.57) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL14496270 0.64 GRK2 (1.00) GRK2GRK3MEN1KMT2AROCK2
SCHEMBL14496335 0.63 GRK2 (1.00) GRK2GRK3MEN1KMT2AROCK2
SCHEMBL15454264 0.63 POLB (0.53) KMT2AROCK2LMNAALDH1A1HPGD

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 4/4885MEN1 1660/4885

“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.