SCHEMBL14608231

SCHEMBL14608231

CCN1C(=O)CS/C1=C(/N)C(=O)NCCc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PIK3CA P42336 1/20 0.42
▸ USP2 O75604 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ADORA2A P29274 1/20 0.38

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
SCHEMBL13537632 0.76 ALDH1A1 (0.37) HTTMEN1KMT2AMAPK1HSD17B10
SCHEMBL13537363 0.74 MEN1 (0.38) HTTMEN1KMT2AMAPK1HSD17B10
SCHEMBL4591710 0.72 RECQL (0.58) RECQLMEN1KMT2AGAAMAPT
SCHEMBL25784651 0.72 HDAC2 (0.61) RECQLMEN1KMT2AGAAMAPT
SCHEMBL14608159 0.71 PLK1 (0.44) HTTPIK3CANAMPTJAK3
SCHEMBL13537259 0.70 MEN1 (0.38) HTTMEN1KMT2AMAPK1HSD17B10
SCHEMBL2755854 0.70 RECQL (0.71) RECQLMEN1KMT2AGAAMAPT
SCHEMBL26936154 0.69 CYP1A2 (0.55) RECQLMEN1KMT2AGAAMAPT
SCHEMBL13537426 0.69 MEN1 (0.34) HTTMEN1KMT2AMAPK1HSD17B10
SCHEMBL24323007 0.68 HDAC2 (0.51) RECQLMEN1KMT2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 — — US 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-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases PLK2, PLK4, PDXK HTT 4331/4885RECQL 389/4885MEN1 3850/4885

“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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