SCHEMBL2793673

SCHEMBL2793673

NC(CC(=O)NCCc1cccs1)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 2/20 0.49
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
TAAR1 Q96RJ0 1/20 0.47
NAMPT P43490 3/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.42
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2792184 0.90 ROCK2 (0.51) ROCK2ROCK1RAB9ASMN1; SMN2NAMPT
SCHEMBL3500616 0.86 ROCK2 (0.51) ROCK2ROCK1NPC1RAB9ASMN1; SMN2
SCHEMBL2790576 0.85 RAB9A (0.54) ROCK2ROCK1RAB9ASMN1; SMN2NAMPT
SCHEMBL2817650 0.83 ROCK2 (0.58) ROCK2ROCK1SMN1; SMN2NAMPTALDH1A1
SCHEMBL2793087 0.82 ROCK2 (0.54) ROCK2ROCK1NPC1RAB9ASMN1; SMN2
SCHEMBL2790570 0.81 ROCK2 (0.48) ROCK2ROCK1SMN1; SMN2NAMPTALDH1A1
SCHEMBL2790111 0.81 ROCK2 (0.48) ROCK2ROCK1RAB9ASMN1; SMN2NAMPT
SCHEMBL2792148 0.81 ROCK2 (0.58) ROCK2ROCK1SMN1; SMN2NAMPTALDH1A1
SCHEMBL2790925 0.81 RAB9A (0.56) ROCK2ROCK1NPC1RAB9ASMN1; SMN2
SCHEMBL2793307 0.81 NT5E (0.55) ROCK2ROCK1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 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 (2 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-20100168102-A9 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 ROCK2 528/4885ROCK1 414/4885NPC1 1738/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 ROCK2 528/4885ROCK1 414/4885NPC1 1738/4885

“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.