SCHEMBL4512996

SCHEMBL4512996

[NH]C(=S)Nc1cccc2cccnc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
TDP1 Q9NUW8 3/20 0.58
MAPT P10636 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
ALDH1A1 P00352 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
POLB P06746 2/20 0.58
KDR P35968 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.54
HDAC6 Q9UBN7 1/20 0.54
RECQL P46063 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54

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
SCHEMBL23959777 0.83 CYP1A2 (0.71) CYP1A2CYP3A4MEN1KMT2ATDP1
SCHEMBL4512999 0.83 CYP1A2 (1.00) CYP1A2CYP3A4MEN1KMT2ATDP1
SCHEMBL6720632 0.82 CYP1A2 (0.65) CYP1A2CYP3A4MEN1KMT2ATDP1
SCHEMBL23959845 0.78 CYP1A2 (0.63) CYP1A2CYP3A4MEN1KMT2ATDP1
SCHEMBL14162001 0.78 MEN1 (0.69) CYP1A2CYP3A4MEN1KMT2ATDP1
SCHEMBL1695444 0.77 KDR (0.71) CYP1A2CYP3A4MEN1KMT2ATDP1
SCHEMBL29851236 0.77 KDR (0.71) CYP1A2CYP3A4MEN1KMT2ATDP1
SCHEMBL1753903 0.76 TDP1 (0.79) CYP1A2CYP3A4MEN1KMT2ATDP1
SCHEMBL3549883 0.76 CYP1A2 (0.71) CYP1A2CYP3A4MEN1KMT2ATDP1
SCHEMBL3909349 0.76 TDP1 (0.67) CYP1A2CYP3A4MEN1KMT2ATDP1

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 CYP1A2 1743/4885CYP3A4 2235/4885MEN1 732/4885

“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.