SCHEMBL5536140

SCHEMBL5536140

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
GRK2 P25098 5/20 0.46
ROCK2 O75116 1/20 0.46
POLB P06746 1/20 0.42
NR4A1 P22736 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
FYN P06241 3/20 0.40
GRK3 P35626 2/20 0.40
GRK5 P34947 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NTRK1 P04629 1/20 0.39
TSHR P16473 1/20 0.39

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 0.82 GRK2 (0.56) GRK2ROCK2POLBRAB9AGRK3
SCHEMBL5329635 0.82 GRK2 (0.55) GRK2ROCK2MEN1KMT2AGRK3
SCHEMBL5539419 0.81 GRK2 (0.57) GRK2POLBNR4A1RAB9AFYN
SCHEMBL5535879 0.81 GRK2 (0.57) GRK2ROCK2POLBRAB9AMEN1
SCHEMBL5533048 0.80 CA1 (0.57) GRK2ROCK2KMT2AGRK3GRK5
SCHEMBL5537408 0.80 GRK2 (0.43) GRK2ROCK2MEN1KMT2AGRK3
SCHEMBL5545993 0.79 GRK2 (0.59) CYP11B1CYP11B2GRK2ROCK2GRK3
SCHEMBL5537464 0.74 CYP17A1 (0.39) CYP17A1GRK2ROCK2POLBRAB9A
SCHEMBL11385963 0.72 RAB9A (0.58) GRK2POLBNR4A1RAB9AMEN1
SCHEMBL5533006 0.71 GRK2 (0.64) GRK2POLBCYP1A2

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 CYP17A1 3491/4885CYP11B1 1080/4885CYP11B2 1095/4885

“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.