SCHEMBL4520168

SCHEMBL4520168

[NH]C(=O)c1ncc2nc[nH]c2n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5349497 0.84 HDAC6 (0.36) HDAC6KDM4EALDH1A1GLAGAA
SCHEMBL4436717 0.84 HSD17B10 (0.33) HDAC6KDM4EALDH1A1GLAGAA
SCHEMBL31269349 0.84 HSD17B10 (0.33) HDAC6KDM4EALDH1A1GLAGAA
SCHEMBL7771667 0.82 SLC2A1 (0.37) HDAC6KDM4EALDH1A1GLAGAA
SCHEMBL1721310 0.82 GDA (0.39) HDAC6KDM4EALDH1A1GLAGAA
SCHEMBL6046332 0.79 KDM4E (0.31) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL19207482 0.78 — —
SCHEMBL6060475 0.78 CTNNB1 (0.30) —
SCHEMBL4520172 0.71 ALDH1A1 (0.50) KDM4EALDH1A1
SCHEMBL2009845 0.71 KDM4E (0.35) KDM4EALDH1A1GLAGAAHPGD

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 HDAC6 1082/4885KDM4E 4294/4885ALDH1A1 2810/4885

“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.

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