SCHEMBL4907452

SCHEMBL4907452

Cc1ccc(-c2nc(NC3CC3)[nH]c(=O)c2C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 2/20 0.47
TNF P01375 1/20 0.47
PLA2G1B P04054 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
ALDH1A1 P00352 6/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45
CXCR2 P25025 1/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
BRD4 O60885 1/20 0.43
PPARG P37231 1/20 0.43

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 0.88 LMNA (0.56) MEN1KMT2APOLBALDH1A1NPSR1
SCHEMBL4906447 0.83 BRD4 (0.55) MEN1KMT2APOLBALDH1A1NPSR1
SCHEMBL4898075 0.82 BRD4 (0.44) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2
SCHEMBL4903905 0.82 BRD4 (0.48) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2
SCHEMBL4906948 0.80 ADORA1 (0.46) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2
SCHEMBL4908557 0.80 ADORA2A (0.46) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2
SCHEMBL4907254 0.79 ADORA1 (0.49) MEN1KMT2APOLBALDH1A1NPSR1
SCHEMBL4899405 0.77 CYP11B1 (0.43) MEN1KMT2APOLBALDH1A1NPSR1
SCHEMBL4908900 0.77 HTT (0.60) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2
SCHEMBL4907124 0.77 HPGD (0.45) MEN1KMT2AALDH1A1NPSR1HTT

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 MEN1 2444/4885KMT2A 3422/4885POLB 2949/4885

“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.