SCHEMBL4907124

SCHEMBL4907124

COc1cncc(-c2nc(NC3CC3)[nH]c(=O)c2C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 3/20 0.44
BRD4 O60885 2/20 0.43
BRAF P15056 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
ATAD2 Q6PL18 1/20 0.42
SYK P43405 1/20 0.41
KDM4E B2RXH2 1/20 0.41
XDH P47989 1/20 0.39
PIK3CG P48736 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
SCHEMBL4904199 0.84 HPGD (0.47) HPGDMEN1KMT2AHTTNPSR1
SCHEMBL4899405 0.84 CYP11B1 (0.43) HPGDMEN1KMT2ANPSR1ALDH1A1
SCHEMBL4906447 0.79 BRD4 (0.55) HPGDMEN1KMT2AHTTNPSR1
SCHEMBL4908557 0.78 ADORA2A (0.46) HPGDMEN1KMT2ANPSR1ALDH1A1
SCHEMBL4908545 0.78 BRAF (0.49) HPGDMEN1KMT2AALDH1A1BRAF
SCHEMBL4900995 0.77 RXFP1 (0.59) HPGDMEN1KMT2AHTTNPSR1
SCHEMBL4907452 0.77 MEN1 (0.53) HPGDMEN1KMT2AHTTNPSR1
SCHEMBL4903905 0.76 BRD4 (0.48) HPGDMEN1KMT2AHTTNPSR1
SCHEMBL4908900 0.75 HTT (0.60) HPGDMEN1KMT2AHTTNPSR1
SCHEMBL4905878 0.74 LMNA (0.56) HPGDMEN1KMT2AHTTNPSR1

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 HPGD 1654/4885MEN1 2444/4885KMT2A 3422/4885

“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.