SCHEMBL4908545

SCHEMBL4908545

COc1cncc(-c2nc(NC3CC3)nc(Cl)c2C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
ADORA2A P29274 4/20 0.41
ADORA1 P30542 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
ADORA2B P29275 2/20 0.41
ULK1 O75385 1/20 0.40
ULK2 Q8IYT8 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CG P48736 1/20 0.39
SYK P43405 1/20 0.39
FYN P06241 1/20 0.38
CTSL P07711 3/20 0.38
CTSS P25774 3/20 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
SCHEMBL4907157 0.87 ADORA1 (0.46) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4904144 0.86 CYP11B1 (0.39) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4912631 0.86 ADORA2A (0.57) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4903707 0.80 ALDH1A1 (0.49) ADORA2AADORA1ALDH1A1HPGDADORA2B
SCHEMBL4911968 0.79 ADORA1 (0.53) ADORA2AADORA1ALDH1A1HPGDADORA2B
SCHEMBL4898198 0.78 HPGD (0.41) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4908292 0.78 KMT2A (0.56) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4907124 0.78 HPGD (0.45) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4900833 0.77 KMT2A (0.56) ADORA2AADORA1ALDH1A1HPGDADORA2B
SCHEMBL4906201 0.76 KMT2A (0.55) ADORA2AADORA1ALDH1A1HPGDADORA2B

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 BRAF 3/4885PDE4A 1/4885PDE4B 2/4885

“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.