SCHEMBL4899129

SCHEMBL4899129

COc1cncc(-c2nc(N)nc(O)c2C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.53
ADORA2A P29274 11/20 0.53
ADORA2B P29275 4/20 0.53
RXFP1 Q9HBX9 3/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 3/20 0.43
GLA P06280 2/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL4900936 0.86 CYP11B1 (0.43) ADORA1ADORA2AADORA2BRXFP1KDM4E
SCHEMBL4911968 0.85 ADORA1 (0.53) ADORA1ADORA2AADORA2BRXFP1MAPT
SCHEMBL4904033 0.82 ADORA1 (0.77) ADORA1ADORA2AADORA2BRXFP1MAPT
SCHEMBL4898180 0.79 CYP11B1 (0.44) ADORA1ADORA2AADORA2BRXFP1KDM4E
SCHEMBL18893660 0.75 RXFP1 (0.46) ADORA1ADORA2AADORA2BRXFP1MAPT
SCHEMBL18893664 0.73 ADORA2A (0.64) ADORA1ADORA2AADORA2BRXFP1MAPT
SCHEMBL18893684 0.73 ADORA1 (0.50) ADORA1ADORA2AADORA2BRXFP1MAPT
SCHEMBL18912246 0.73 KDM4E (0.45) ADORA1ADORA2AADORA2BRXFP1MAPT
SCHEMBL4903707 0.73 ALDH1A1 (0.49) ADORA1ADORA2AADORA2BMAPTKDM4E
SCHEMBL18893669 0.72 KDM4E (0.59) ADORA1ADORA2AADORA2BRXFP1MAPT

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 ADORA1 529/4885ADORA2A 837/4885ADORA2B 953/4885

“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.