SCHEMBL3078992

SCHEMBL3078992

COCCCn1cc2ccc(CCl)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.41
FLT3 P36888 1/20 0.41
PDE4D Q08499 2/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MET P08581 1/20 0.33
THRB P10828 1/20 0.33
NSD2 O96028 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
CDK9 P50750 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
ITK Q08881 1/20 0.32
MPO P05164 1/20 0.31
USP2 O75604 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
SCHEMBL3074994 0.87 IRAK4 (0.44) IRAK4FLT3PDE4DKDM4EALDH1A1
SCHEMBL24338409 0.78 IRAK4 (0.43) IRAK4FLT3PDE4DKDM4EALDH1A1
SCHEMBL30177201 0.78 IRAK4 (0.43) IRAK4FLT3KDM4EALDH1A1MAPT
SCHEMBL18339237 0.76 MAPT (0.56) KDM4EALDH1A1MAPTMETNSD2
SCHEMBL3067040 0.75 IRAK4 (0.46) IRAK4FLT3KDM4EALDH1A1NPSR1
SCHEMBL30995500 0.74 MAP4K4 (0.43) IRAK4FLT3KDM4EALDH1A1MAPT
SCHEMBL3086407 0.72 KMO (0.44) MAPK1
SCHEMBL13607537 0.72 IRAK4 (0.39) IRAK4KDM4EALDH1A1MAPTNPSR1
SCHEMBL22836485 0.71 IRAK4 (0.36) IRAK4FLT3PDE4DKDM4EALDH1A1
SCHEMBL3065244 0.71 MTNR1A (0.39) ALDH1A1MAPTITK

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 4217/4885PDE4D 431/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 IRAK4 4325/4885FLT3 4217/4885PDE4D 431/4885

“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.