SCHEMBL4759855

SCHEMBL4759855

CC(O)n1ncc(C#N)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
XDH P47989 2/20 0.41
F2 P00734 1/20 0.40
PKM P14618 1/20 0.39
ABL1 P00519 1/20 0.38
KDR P35968 1/20 0.38
LPAR1 Q92633 1/20 0.36
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL55228 0.85 KDM4E (0.44) KDM4EKMT2AMEN1XDHF2
SCHEMBL25432010 0.78 KMT2A (0.42) KDM4EKMT2AMEN1XDHF2
SCHEMBL25432012 0.78 KMT2A (0.42) KDM4EKMT2AMEN1XDHF2
SCHEMBL1664856 0.77 PKM (0.41) KDM4EKMT2AMEN1XDHF2
SCHEMBL4758468 0.76 KMT2A (0.43) KDM4EKMT2AMEN1XDHF2
SCHEMBL14321038 0.75
SCHEMBL94060 0.75
SCHEMBL5823747 0.74 PKM (0.49) KDM4EKMT2AMEN1PKMABL1
SCHEMBL175251 0.71
SCHEMBL4360410 0.70 CDK2 (0.37) KDM4EKMT2AF2ABL1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470698-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-12-30 US disclosed
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2007-10-25 US disclosed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US disclosed
US-20060040959-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-02-23 US disclosed
US-6921825-B2 Adenosine A3 receptor modulators KING PHARMACEUTICUALS RESEARCH & DEVELOPMENT, INC. (US) 2005-07-26 US disclosed
US-20030144266-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-07-31 US disclosed
US-6448253-B1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-09-10 US disclosed
US-6407236-B1 TUMOR DIAGNOSIS; ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; ANTIDEPRESSANTS MEDCO RESEARCH, INC. 2002-06-18 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (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-20060040959-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 KDM4E 4280/4885KMT2A 2803/4885MEN1 2079/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 KDM4E 4280/4885KMT2A 2803/4885MEN1 2079/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 KDM4E 4491/4885KMT2A 2948/4885MEN1 2535/4885

“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.