SCHEMBL2043569

SCHEMBL2043569

CCCc1nc(C#N)c(N)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
RECQL P46063 1/20 0.38
PKM P14618 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDE10A Q9Y233 1/20 0.33
HSD17B10 Q99714 3/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCAT2 O15382 1/20 0.31
GRK6 P43250 1/20 0.31
GLA P06280 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
SCHEMBL1300750 0.76 TLR7 (0.41) MAPK1RECQLKDM4EALDH1A1MEN1
SCHEMBL1302060 0.71 PKM (0.33) PKMKDM4EALDH1A1MEN1KMT2A
SCHEMBL1301869 0.68 ALDH1A1 (0.39) MAPK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL15474088 0.68 PDE10A (0.34) MAPK1KDM4EALDH1A1PDE10AHSD17B10
SCHEMBL1302206 0.67 TLR7 (0.49) MAPK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4590465 0.67
SCHEMBL2041135 0.67 MAPT (0.36) PKMKDM4EALDH1A1MEN1KMT2A
SCHEMBL8297339 0.67 KDM4E (0.33) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19475180 0.66 ALDH1A1 (0.37) MAPK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL14758128 0.65 TLR7 (0.51) MAPK1KDM4EALDH1A1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102770181-B Antiviral compound KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-08-12 CN disclosed
EP-2516008-B1 NOVEL ANTIVIRAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-04-16 EP disclosed
US-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-12-13 US disclosed
EP-2516008-A1 NOVEL ANTIVIRAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-31 EP disclosed
WO-2011076765-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-30 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-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPK1 2340/4885RECQL 672/4885PKM 2097/4885

“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.