SCHEMBL4899405

SCHEMBL4899405

N#Cc1c(-c2cncc(Cl)c2)nc(NC2CC2)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
LMNA P02545 1/20 0.39
BRD4 O60885 2/20 0.39
ATAD2 Q6PL18 1/20 0.39
RIPK1 Q13546 1/20 0.38
XDH P47989 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
LDHA P00338 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CDC7 O00311 1/20 0.34

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
SCHEMBL4907254 0.84 ADORA1 (0.49) LMNABRD4XDHALDH1A1CYP1A2
SCHEMBL4907124 0.84 HPGD (0.45) BRD4ATAD2XDHALDH1A1HPGD
SCHEMBL4905878 0.84 LMNA (0.56) LMNAXDHALDH1A1CYP1A2CYP2C9
SCHEMBL4904199 0.81 HPGD (0.47) LMNABRD4XDHALDH1A1HPGD
SCHEMBL4908557 0.81 ADORA2A (0.46) XDHALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL4898075 0.79 BRD4 (0.44) LMNABRD4XDHALDH1A1CYP1A2
SCHEMBL4904144 0.77 CYP11B1 (0.39) CYP11B1CYP11B2MEN1KMT2AMAPK1
SCHEMBL4907452 0.77 MEN1 (0.53) LMNABRD4XDHALDH1A1CYP1A2
SCHEMBL4906948 0.76 ADORA1 (0.46) BRD4XDHALDH1A1CYP1A2CYP2C9
SCHEMBL4903905 0.76 BRD4 (0.48) BRD4XDHALDH1A1CYP1A2CYP2C9

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 CYP11B1 609/4885CYP11B2 1096/4885LMNA 3045/4885

“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.