SCHEMBL3504765

SCHEMBL3504765

COc1ccc(NC(=O)C(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.61
ROCK1 Q13464 2/20 0.61
RAB9A P51151 7/20 0.59
NPC1 O15118 5/20 0.59
TP53 P04637 2/20 0.59
ALOX15 P16050 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 3/20 0.58
POLB P06746 2/20 0.58
MEN1 O00255 2/20 0.58
NAMPT P43490 1/20 0.57
PSMD14 O00487 1/20 0.57
KDM4E B2RXH2 2/20 0.56
LMNA P02545 3/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL5459124 0.88 ROCK2 (0.67) ROCK2ROCK1RAB9ANPC1TP53
SCHEMBL3504526 0.87 NAMPT (0.65) ROCK2ROCK1RAB9ANPC1TP53
SCHEMBL3502187 0.85 ROCK2 (0.67) ROCK2ROCK1RAB9ANPC1TP53
SCHEMBL3270932 0.84 RAB9A (0.77) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL2790882 0.84 ROCK2 (0.58) ROCK2ROCK1RAB9ANPC1TP53
SCHEMBL3501386 0.84 ROCK2 (0.64) ROCK2ROCK1RAB9ANPC1SMN1; SMN2
SCHEMBL3271513 0.82 RAB9A (0.77) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL2793073 0.81 ROCK2 (0.62) ROCK2ROCK1RAB9ANPC1TP53
SCHEMBL2796251 0.81 NAMPT (0.66) ROCK2ROCK1RAB9ANPC1TP53
SCHEMBL5456383 0.81 KMT2A (0.72) RAB9ANPC1TP53ALOX15SMN1; SMN2

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-20100190788-A1 Amide derivatives as kinase inhitors DEVGEN N.V. (BE) 2010-07-29 US claimed

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-20100190788-A1 Amide derivatives as kinase inhitors MAP3K1, MAPK1, MAP3K21 ROCK2 24/4885ROCK1 10/4885RAB9A 1331/4885

“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.