SCHEMBL4909704

SCHEMBL4909704

N#Cc1c(Cl)nc(NC2CC2)nc1SCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.44
HTR1B P28222 1/20 0.44
OPRK1 P41145 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 9/20 0.42
GLA P06280 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 4/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40

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
SCHEMBL4907863 0.79 ADORA2B (0.42) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL4907483 0.78 ALDH1A1 (0.46) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL4900982 0.77 ALDH1A1 (0.48) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL9640912 0.77 KMT2A (0.45) MAPTGAAALDH1A1GLAKDM4E
SCHEMBL4908412 0.76 ALDH1A1 (0.50) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL4907216 0.76 ALDH1A1 (0.46) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL4907067 0.76 PDE4A (0.44) KDM4EMAPK1
SCHEMBL4897863 0.73 BACE1 (0.47) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL4908408 0.73 ALDH1A1 (0.42) ADORA2BHTR1BOPRK1FFAR4SIGMAR1
SCHEMBL4907060 0.72 ALDH1A1 (0.43) ADORA2BHTR1BOPRK1FFAR4SIGMAR1

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 ADORA2B 953/4885HTR1B 3988/4885OPRK1 2371/4885

“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.