SCHEMBL3074994

SCHEMBL3074994

COCCCn1cc2ccc(CO)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.44
FLT3 P36888 1/20 0.42
HSD17B10 Q99714 1/20 0.37
PDE4D Q08499 1/20 0.36
CBFB Q13951 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MET P08581 2/20 0.34
ITK Q08881 1/20 0.34
THRB P10828 1/20 0.33
NSD2 O96028 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL24338409 0.91 IRAK4 (0.43) IRAK4FLT3HSD17B10PDE4DCBFB
SCHEMBL3078992 0.87 IRAK4 (0.41) IRAK4FLT3HSD17B10PDE4DKDM4E
SCHEMBL3436681 0.80 NOTUM (0.42) HSD17B10PDE4DKDM4EALDH1A1MAPT
SCHEMBL30177201 0.79 IRAK4 (0.43) IRAK4FLT3HSD17B10KDM4EALDH1A1
SCHEMBL3067040 0.79 IRAK4 (0.46) IRAK4FLT3HSD17B10KDM4EALDH1A1
SCHEMBL3436679 0.77 MAPT (0.56) HSD17B10KDM4EALDH1A1MAPTNSD2
SCHEMBL5764836 0.74 PARP1 (0.44) MET
SCHEMBL24339225 0.74 HSD17B10 (0.36) IRAK4HSD17B10METTHRB
SCHEMBL13607537 0.73 IRAK4 (0.39) IRAK4HSD17B10KDM4EALDH1A1MAPT
SCHEMBL15687221 0.72 MET (0.47) HSD17B10CBFBMETTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 IRAK4 4325/4885FLT3 4217/4885HSD17B10 1604/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 IRAK4 4325/4885FLT3 4217/4885HSD17B10 1604/4885

“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.