SCHEMBL4904086

SCHEMBL4904086

N#Cc1c(Cl)nc(NC2CC2)nc1-c1ccccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.43
USP30 Q70CQ3 1/20 0.40
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
SQOR Q9Y6N5 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36

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
SCHEMBL4905880 0.88 MAPK8 (0.40) USP30MAPK8MAPK9CTSSCTSK
SCHEMBL4907027 0.84 ADORA2A (0.47) MEN1ALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL4907005 0.80 ACHE (0.41) ACHECTSSCTSKMEN1ALDH1A1
SCHEMBL4907060 0.80 ALDH1A1 (0.43) MAPK8MAPK9MEN1ALDH1A1HPGD
SCHEMBL4909514 0.78 ADORA1 (0.50) ACHECTSSCTSKALDH1A1HPGD
SCHEMBL4907135 0.72 SQOR (0.42) ACHEMAPK8MAPK9SQORALDH1A1
SCHEMBL4906255 0.70 ADORA1 (0.47) ACHEMAPK8CTSSCTSKMEN1
SCHEMBL4899212 0.70 KDM1A (0.47) ACHECTSSCTSKMEN1ALDH1A1
SCHEMBL4907067 0.70 PDE4A (0.44) ACHECTSSCTSKNSD2
SCHEMBL4906676 0.70 ACHE (0.43) ACHECTSSCTSK

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 ACHE 939/4885USP30 2747/4885MAPK8 678/4885

“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.