SCHEMBL123373

SCHEMBL123373

CC(=O)c1ccc2cccnc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.71
LMNA P02545 2/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
ALDH1A1 P00352 5/20 0.50
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
NFKB1 P19838 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GMNN O75496 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
MMP8 P22894 1/20 0.39
CCR1 P32246 1/20 0.39
THPO P40225 1/20 0.39

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
SCHEMBL6529041 0.85 KDM4E (0.76) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL125654 0.83 KDM4E (1.00) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL30505600 0.83 KDM4E (1.00) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL2887500 0.83 KDM4E (0.73) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL30381290 0.83 KDM4E (1.00) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL4892610 0.81 KDM4E (0.71) KDM4ELMNAMEN1KMT2AALDH1A1
Fluoride SCHEMBL28821496 0.81 KDM4E (0.96) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL566150 0.81 KDM4E (0.71) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL2885538 0.81 KDM4E (0.71) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL30576393 0.81 KDM4E (0.71) KDM4ELMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810592-A1 OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2021-04-28 EP disclosed
CN-112313218-A OGA inhibitor compounds 詹森药业有限公司 2021-02-02 CN disclosed
WO-2019243525-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 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 (3 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B KDM4E 3261/4885LMNA 485/4885MEN1 2742/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B KDM4E 3261/4885LMNA 485/4885MEN1 2742/4885
US-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT KDM4E 1231/4885LMNA 2087/4885MEN1 1810/4885

“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.