SCHEMBL4520119

SCHEMBL4520119

[NH]C(=S)Nc1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.56
RAB9A P51151 8/20 0.56
NCF1 P14598 1/20 0.55
KMT2A Q03164 2/20 0.54
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE10A Q9Y233 1/20 0.48
MAPK1 P28482 1/20 0.48
ATG4B Q9Y4P1 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL1682381 0.81 NPC1 (0.56) NPC1RAB9ANCF1KMT2AADORA3
SCHEMBL11329484 0.80 NPC1 (0.54) NPC1RAB9ANCF1KMT2AADORA3
SCHEMBL4628218 0.78 NPC1 (0.56) NPC1RAB9ANCF1KMT2AADORA3
SCHEMBL14537455 0.78 NCF1 (0.60) NPC1RAB9ANCF1KMT2AADORA3
SCHEMBL6191463 0.78 NPC1 (0.56) NPC1RAB9ANCF1KMT2AADORA3
SCHEMBL27657075 0.77 KMT2A (0.83) NPC1RAB9ANCF1KMT2AADORA3
SCHEMBL28056008 0.76 NPC1 (0.72) NPC1RAB9ANCF1KMT2AADORA3
SCHEMBL28476553 0.75 NPC1 (0.66) NPC1RAB9ANCF1KMT2AADORA3
SCHEMBL2773540 0.75 NPC1 (0.60) NPC1RAB9ANCF1KMT2AADORA3
SCHEMBL28751724 0.74 NPC1 (0.65) NPC1RAB9ANCF1KMT2AADORA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 NPC1 1514/4885RAB9A 1324/4885NCF1 2146/4885

“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.