SCHEMBL4907067

SCHEMBL4907067

N#Cc1c(Cl)nc(NC2CC2)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.44
MAPK1 P28482 2/20 0.41
NSD2 O96028 1/20 0.41
CTSK P43235 5/20 0.39
CTSS P25774 4/20 0.39
CTSL P07711 3/20 0.39
CTSV O60911 2/20 0.39
PLAT P00750 2/20 0.39
CTSH P09668 2/20 0.39
CASP14 P31944 2/20 0.39
CASP6 P55212 2/20 0.39
CTSZ Q9UBR2 2/20 0.39
ACHE P22303 1/20 0.38
CTSB P07858 2/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL4416389 0.90 ACHE (0.43) PDE4AMAPK1NSD2CTSKCTSS
Pyridine SCHEMBL4898097 0.87 ACHE (0.40) PDE4AMAPK1CTSKCTSSCTSL
SCHEMBL9640912 0.84 KMT2A (0.45) PDE4AMAPK1NSD2CTSKCTSS
SCHEMBL11165353 0.82 MAPK8 (0.39) PDE4AMAPK1NSD2CTSKCTSS
SCHEMBL4899212 0.81 KDM1A (0.47) CTSKCTSSCTSLCTSVPLAT
SCHEMBL4413397 0.80 KDM4E (0.41) PDE4AACHEKDM4E
SCHEMBL4907005 0.79 ACHE (0.41) CTSKCTSSCTSLCTSVPLAT
SCHEMBL4906201 0.79 KMT2A (0.55) ACHE
SCHEMBL4906676 0.78 ACHE (0.43) CTSKCTSSCTSLCTSVPLAT
SCHEMBL120066 0.77 CTSK (0.38) PDE4ACTSKCTSSCTSLCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF PDE4A 1/4885MAPK1 332/4885NSD2 4120/4885

“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.