SCHEMBL1742916

SCHEMBL1742916

CCCCCCCCn1cc(C#N)c(N)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.51
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 1/20 0.38
SMPD1 P17405 4/20 0.38
ADORA3 P0DMS8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL1740452 1.00 KDR (0.51) KDRKDM4EGAAHSD17B10MEN1
SCHEMBL1741589 1.00 KDR (0.51) KDRKDM4EGAAHSD17B10MEN1
SCHEMBL1741794 1.00 KDR (0.51) KDRKDM4EGAAHSD17B10MEN1
SCHEMBL2076920 0.98 KDR (0.49) KDRKDM4EGAAHSD17B10MEN1
SCHEMBL4760124 0.94 KDR (0.43) KDRKDM4EGAAHSD17B10MEN1
SCHEMBL6253963 0.88 KDR (0.40) KDRKDM4EGAAHSD17B10MEN1
SCHEMBL2075690 0.87 KDR (0.36) KDRKDM4EGAAHSD17B10MEN1
SCHEMBL4338327 0.86 KDR (0.40) KDRKDM4EGAAHSD17B10MEN1
SCHEMBL18208037 0.78 KDR (0.58) KDRTLR8TLR7SMPD1ADORA3
SCHEMBL8012441 0.77 TLR8 (0.42) MEN1TSHRKMT2ATLR8TLR7

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 KDR 3274/4885KDM4E 2141/4885GAA 2589/4885

“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.