SCHEMBL3500616

SCHEMBL3500616

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.51
ROCK1 Q13464 2/20 0.51
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TAAR1 Q96RJ0 1/20 0.49
NAMPT P43490 3/20 0.47
ADAM17 P78536 3/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
STAT3 P40763 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 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
SCHEMBL2793673 0.86 ROCK2 (0.49) ROCK2ROCK1NPC1RAB9ASMN1; SMN2
SCHEMBL3502633 0.84 RAB9A (0.56) ROCK2ROCK1RAB9ASMN1; SMN2NAMPT
SCHEMBL3502656 0.80 NAMPT (0.57) ROCK2ROCK1NPC1RAB9ASMN1; SMN2
SCHEMBL3504648 0.79 ROCK2 (0.60) ROCK2ROCK1SMN1; SMN2NAMPTKDM4E
SCHEMBL3504672 0.79 ROCK2 (0.56) ROCK2ROCK1SMN1; SMN2NAMPTKDM4E
SCHEMBL3502434 0.79 ROCK2 (0.65) ROCK2ROCK1SMN1; SMN2NAMPTKDM4E
SCHEMBL3504202 0.78 ROCK2 (0.58) ROCK2ROCK1SMN1; SMN2NAMPTKDM4E
SCHEMBL3502405 0.78 ROCK2 (0.60) ROCK2ROCK1NAMPTKDM4EL3MBTL1
SCHEMBL2792184 0.77 ROCK2 (0.51) ROCK2ROCK1RAB9ASMN1; SMN2NAMPT
SCHEMBL2793087 0.77 ROCK2 (0.54) 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 4 patents. 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
EP-1907362-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS Devgen NV (BE) 2008-04-09 EP claimed
WO-2007006547-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 WO claimed
US-20100190788-A1 Amide derivatives as kinase inhitors DEVGEN N.V. (BE) 2010-07-29 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-20100190788-A1 Amide derivatives as kinase inhitors MAP3K1, MAPK1, MAP3K21 ROCK2 24/4885ROCK1 10/4885NPC1 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.