SCHEMBL1740693

SCHEMBL1740693

CCCCCCCCn1ncc(C#N)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 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
SCHEMBL1741752 1.00 PKM (0.48) PKMKDM4EKMT2AGAAHSD17B10
SCHEMBL1742738 1.00 PKM (0.48) PKMKDM4EKMT2AGAAHSD17B10
SCHEMBL11899586 1.00 PKM (0.48) PKMKDM4EKMT2AGAAHSD17B10
SCHEMBL2073708 0.98 PKM (0.49) PKMKDM4EKMT2AGAAHSD17B10
SCHEMBL4760141 0.94 PKM (0.50) PKMKDM4EKMT2AGAAHSD17B10
SCHEMBL2077595 0.87 PKM (0.53) PKMKDM4EKMT2AMEN1HTT
SCHEMBL4338327 0.86 KDR (0.40) PKMKDM4EKMT2AGAAHSD17B10
SCHEMBL2193196 0.80 PKM (0.55) PKMKDM4EKMT2AMEN1HTT
SCHEMBL174714 0.78 PKM (0.54) PKMKDM4EKMT2AMEN1HTT
SCHEMBL6243840 0.78 TLR8 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202287-A1 Stem Cell Culture Methods ITI SCOTLAND LIMITED (GB) 2012-08-09 US disclosed
EP-2389436-A2 STEM CELL CULTURE METHODS ITI Scotland Limited (GB) 2011-11-30 EP disclosed
US-20110257911-A1 SYSTEMS AND METHODS FOR DETECTING CHANGES IN ENERGY USAGE IN A BUILDING JOHNSON CONTROLS TECHNOLOGY COMPANY 2011-10-20 US disclosed
WO-2010084300-A2 STEM CELL CULTURE METHODS ITI SCOTLAND LIMITED (GB) 2010-07-29 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-20120202287-A1 Stem Cell Culture Methods KIT, SOX18, MCL1 PKM 2400/4885KDM4E 2141/4885KMT2A 1472/4885

“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.