SCHEMBL4898075

SCHEMBL4898075

N#Cc1c(-c2ccc(F)c(F)c2)nc(NC2CC2)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
XDH P47989 5/20 0.43
IDO1 P14902 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TBK1 Q9UHD2 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
LDHA P00338 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KDM1A O60341 2/20 0.38
CXCR2 P25025 1/20 0.38
BRAF P15056 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4905878 0.85 LMNA (0.56) XDHMEN1KMT2ALMNAALDH1A1
SCHEMBL4903905 0.84 BRD4 (0.48) BRD4XDHMEN1KMT2AALDH1A1
SCHEMBL4907254 0.83 ADORA1 (0.49) BRD4XDHIDO1MEN1KMT2A
SCHEMBL4907452 0.82 MEN1 (0.53) BRD4XDHMEN1KMT2ALMNA
SCHEMBL4906948 0.82 ADORA1 (0.46) BRD4XDHMEN1KMT2AALDH1A1
SCHEMBL4906447 0.81 BRD4 (0.55) BRD4XDHMEN1KMT2AALDH1A1
SCHEMBL4899405 0.79 CYP11B1 (0.43) BRD4XDHMEN1KMT2ALMNA
SCHEMBL4908557 0.77 ADORA2A (0.46) XDHMEN1KMT2AALDH1A1CYP1A2
SCHEMBL4904199 0.75 HPGD (0.47) BRD4XDHMEN1KMT2ALMNA
SCHEMBL4898439 0.74 KDM1A (0.52) KMT2ACYP1A2CYP2C9KDM1ABRAF

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 BRD4 636/4885XDH 1175/4885IDO1 3469/4885

“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.