SCHEMBL5534294

SCHEMBL5534294

O=C(CNc1cccc(Cl)c1)NNCc1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 2/20 0.59
GRK3 P35626 2/20 0.59
ROCK2 O75116 1/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
GAA P10253 1/20 0.57
KDR P35968 4/20 0.54
NAMPT P43490 3/20 0.51
FLT1 P17948 2/20 0.50
GRK5 P34947 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MTOR P42345 1/20 0.45
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CNR2 P34972 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
SCHEMBL6000282 0.80 ROCK2 (0.60) GRK2ROCK2MEN1KMT2AGAA
SCHEMBL28901871 0.80 MEN1 (0.54) GRK2GRK3ROCK2MEN1KMT2A
SCHEMBL11617698 0.75 NAMPT (0.82) MEN1KMT2ANAMPTMTORNPC1
SCHEMBL14496332 0.74 GRK2 (1.00) GRK2GRK3ROCK2MEN1KMT2A
SCHEMBL5289108 0.73 MEN1 (0.54) GRK2GRK3ROCK2MEN1KMT2A
SCHEMBL3905327 0.72 KDR (0.53) GRK2GRK3ROCK2MEN1KMT2A
SCHEMBL157003 0.71 MEN1 (0.56) GRK2GRK3ROCK2MEN1KMT2A
Hydrochloric Acid SCHEMBL30605752 0.71 MEN1 (0.56) GRK2GRK3ROCK2MEN1KMT2A
SCHEMBL30421886 0.71 MEN1 (0.56) GRK2GRK3ROCK2MEN1KMT2A
Hydrochloric Acid SCHEMBL28590040 0.71 MEN1 (0.56) GRK2GRK3ROCK2MEN1KMT2A

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 4 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
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 4/4885ROCK2 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.