SCHEMBL4513869

SCHEMBL4513869

[NH]C(=S)Nc1ccncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
EPHX2 P34913 1/20 0.42
ATR Q13535 1/20 0.36
NAMPT P43490 1/20 0.36
HSP90AA1 P07900 1/20 0.35
P2RX7 Q99572 1/20 0.35
KDR P35968 2/20 0.35
MKNK1 Q9BUB5 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4513873 0.80 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL10310328 0.76 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL1467809 0.73 RAB9A (0.61) SMN1; SMN2KDM4ENPC1ALDH1A1TP53
SCHEMBL5264810 0.73 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL25083726 0.73 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL5262945 0.72 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL5630446 0.72 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL31579540 0.72 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL1430508 0.72 L3MBTL1 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL30488472 0.72

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 CHRNB2 2454/4885CHRNB4 2916/4885CHRNA3 1656/4885

“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.