SCHEMBL4904199

SCHEMBL4904199

COc1cc(Cl)cc(-c2nc(NC3CC3)[nH]c(=O)c2C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 3/20 0.44
BRD4 O60885 2/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.39
ADORA2A P29274 3/20 0.38
ADORA2B P29275 3/20 0.38
ADORA1 P30542 2/20 0.38
XDH P47989 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
LDHA P00338 1/20 0.37
IDH1 O75874 1/20 0.37

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
SCHEMBL4907124 0.84 HPGD (0.45) HPGDHTTMEN1KMT2ANPSR1
SCHEMBL4907254 0.81 ADORA1 (0.49) HPGDHTTMEN1KMT2ANPSR1
SCHEMBL4899405 0.81 CYP11B1 (0.43) HPGDMEN1KMT2ANPSR1ALDH1A1
SCHEMBL4905878 0.80 LMNA (0.56) HPGDHTTMEN1KMT2ANPSR1
SCHEMBL4907157 0.79 ADORA1 (0.46) HPGDMEN1KMT2AALDH1A1ADORA2A
SCHEMBL4906447 0.78 BRD4 (0.55) HPGDHTTMEN1KMT2ANPSR1
SCHEMBL4907452 0.76 MEN1 (0.53) HPGDHTTMEN1KMT2ANPSR1
SCHEMBL4898075 0.75 BRD4 (0.44) HPGDHTTMEN1KMT2ANPSR1
SCHEMBL4903905 0.75 BRD4 (0.48) HPGDHTTMEN1KMT2ANPSR1
SCHEMBL4908900 0.74 HTT (0.60) HPGDHTTMEN1KMT2ANPSR1

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 1654/4885HTT 4730/4885MEN1 2444/4885

“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.