SCHEMBL4906591

SCHEMBL4906591

N#Cc1c(Cl)nc(NC2CC2)nc1OC(c1ccccc1)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
ACHE P22303 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA2B P29275 1/20 0.34
CTSV O60911 1/20 0.33
PLAT P00750 1/20 0.33
CTSL P07711 1/20 0.33
CTSH P09668 1/20 0.33
CASP14 P31944 1/20 0.33
CASP6 P55212 1/20 0.33
CTSZ Q9UBR2 1/20 0.33
GBA1 P04062 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL4907135 0.77 SQOR (0.42) KMT2ASLC6A4ACHEADORA2AADORA1
Pyridine SCHEMBL4898097 0.74 ACHE (0.40) KMT2ACTSSCTSKACHECTSV
SCHEMBL4908292 0.73 KMT2A (0.56) KMT2AACHEADORA2AADORA1ADORA2B
SCHEMBL4907970 0.69 BRAF (0.63)
SCHEMBL4907067 0.69 PDE4A (0.44) CTSSCTSKACHECTSVPLAT
SCHEMBL4907005 0.65 ACHE (0.41) KMT2ACTSSCTSKACHEADORA2A
SCHEMBL4416389 0.64 ACHE (0.43) CTSSCTSKACHEADORA1CTSV
SCHEMBL4909514 0.63 ADORA1 (0.50) CTSSCTSKACHEADORA2AADORA1
SCHEMBL4907027 0.63 ADORA2A (0.47) KMT2AADORA2AADORA1
SCHEMBL4906255 0.63 ADORA1 (0.47) KMT2ACTSSCTSKACHEADORA2A

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 KMT2A 3422/4885SLC6A2 2465/4885SLC6A4 1009/4885

“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.