SCHEMBL4517474

SCHEMBL4517474

NC(=S)Nc1nc2ncncc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
ENPP1 P22413 1/20 0.36
GLA P06280 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
NPY5R Q15761 1/20 0.30

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
SCHEMBL4517471 0.84 METAP2 (0.39) METAP2METAP1ENPP1NPY5R
SCHEMBL5495466 0.84 CYP3A4 (0.49) METAP2METAP1ENPP1ALDH1A1CYP3A4
SCHEMBL5828208 0.78 METAP2 (0.44) METAP2METAP1L3MBTL1ENPP1ALDH1A1
SCHEMBL3421963 0.78 METAP2 (0.44) METAP2METAP1ENPP1NPY5R
SCHEMBL9356684 0.75 METAP2 (0.44) METAP2METAP1ENPP1NPY5R
SCHEMBL5072700 0.75 METAP2 (0.44) METAP2METAP1ENPP1CYP3A4CYP1A2
SCHEMBL10774219 0.74 ENPP1 (0.36) METAP2METAP1ENPP1CYP3A4
SCHEMBL18912106 0.73 NPC1 (0.40) METAP2METAP1ENPP1POLBALDH1A1
SCHEMBL4405834 0.73 NPC1 (0.58) METAP2METAP1MEN1KMT2A
SCHEMBL4957413 0.72 ENPP1 (0.39) METAP2METAP1ENPP1MAPTTDP1

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 METAP2 3709/4885METAP1 2493/4885L3MBTL1 1984/4885

“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.