SCHEMBL5414745

SCHEMBL5414745

COC(=O)/C=C/c1cncn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NFE2L2 Q16236 4/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TYR P14679 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KEAP1 Q14145 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TTR P02766 1/20 0.38
APP P05067 1/20 0.38
MAPT P10636 4/20 0.38
MLYCD O95822 2/20 0.38
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL2219291 1.00 KMT2A (0.47) KMT2AMEN1NFE2L2CA12CA1
SCHEMBL16706645 0.84 MEN1 (0.34) KMT2AMEN1NFE2L2
SCHEMBL6183911 0.83 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL6183914 0.83 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL5591568 0.81 TBXAS1 (0.43) KMT2AMEN1HCAR2KDM4ESMN1; SMN2
SCHEMBL6570159 0.81 TBXAS1 (0.43) KMT2AMEN1HCAR2KDM4ESMN1; SMN2
SCHEMBL9641646 0.73 CYP11B1 (0.54) KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL16903892 0.71 MAPK1 (0.48) KMT2AMEN1MLYCDALDH1A1CYP1A2
SCHEMBL21334813 0.71 CYP11B1 (0.56)
SCHEMBL1751342 0.69 MAPK1 (0.49) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049904-A1 POLYALKYLENE POLYMER COMPOUNDS AND USES THEREOF BIOGEN MA INC. (US) 2017-02-23 US disclosed
US-20150246097-A9 Polyalkylene Polymer Compounds and Uses Thereof BIOGEN IDEC MA INC. (US) 2015-09-03 US disclosed
US-20150132259-A1 Polyalkylene Polymer Compounds and Uses Thereof BIOGEN IDEC MA INC. (US) 2015-05-14 US disclosed
US-8524660-B2 Polyalkylene polymer compounds and uses thereof BIOGEN IDEC MA INC. (US) 2013-09-03 US disclosed
US-20120014916-A1 POLYALKYLENE POLYMER COMPOUNDS AND USES THEREOF BIOGEN MA INC. 2012-01-19 US disclosed
US-8017733-B2 Covalent attachment of hydrophilic polymers, such as polyalkylene glycol polymers, also known as polyalkylene oxides, to biologically-active molecules BIOGEN IDEC MA INC. (US) 2011-09-13 US disclosed
US-7179925-B2 Method for reducing organic compounds in microreactor by means of hydrides and/or the derivatives thereof MERCK PATENT GMBH (DE) 2007-02-20 US disclosed
US-20040225157-A1 Method for reducing organic compounds in microreactor by means of hydrides and/or the derivatives thereof MERCK PATENT GMBH (DE) 2004-11-11 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 (4 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-20150246097-A9 Polyalkylene Polymer Compounds and Uses Thereof HAVCR2, TLR3, CCR8 KMT2A 3367/4885MEN1 4797/4885NFE2L2 4614/4885
US-20170049904-A1 POLYALKYLENE POLYMER COMPOUNDS AND USES THEREOF HAVCR2, TLR3, CCR8 KMT2A 3367/4885MEN1 4797/4885NFE2L2 4614/4885
US-20120014916-A1 POLYALKYLENE POLYMER COMPOUNDS AND USES THEREOF HAVCR2, TLR3, CCR8 KMT2A 3367/4885MEN1 4797/4885NFE2L2 4614/4885
US-20150132259-A1 Polyalkylene Polymer Compounds and Uses Thereof HAVCR2, TLR3, CCR8 KMT2A 3367/4885MEN1 4797/4885NFE2L2 4614/4885

“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.