SCHEMBL4898304

SCHEMBL4898304

N#Cc1c(-c2ccccc2Cl)nc(NC2CC2)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PIM1 P11309 3/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 1/20 0.41
BRD4 O60885 2/20 0.40
CXCR2 P25025 1/20 0.40
HSD11B1 P28845 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
XDH P47989 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 2/20 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
SCHEMBL4908900 0.84 HTT (0.60) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL4905878 0.81 LMNA (0.56) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4907254 0.80 ADORA1 (0.49) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL4903905 0.78 BRD4 (0.48) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4907452 0.76 MEN1 (0.53) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4908557 0.76 ADORA2A (0.46) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL4906948 0.76 ADORA1 (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4907005 0.76 ACHE (0.41) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4899405 0.75 CYP11B1 (0.43) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4898075 0.74 BRD4 (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A

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 ALDH1A1 1662/4885KDM4E 2429/4885GLA 612/4885

“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.