SCHEMBL4559145

SCHEMBL4559145

NC(=O)c1c(Oc2ccccc2)nc(N)nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.56
SCN9A Q15858 2/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PARP10 Q53GL7 1/20 0.41
GAA P10253 1/20 0.41
BTK Q06187 6/20 0.41
NUDT1 P36639 1/20 0.41
P2RX3 P56373 1/20 0.40
ADORA1 P30542 2/20 0.40
CTNNB1 P35222 1/20 0.40
DHODH Q02127 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
SCHEMBL4559176 0.88 SIRT2 (0.45) ADORA2ASCN9AMEN1KMT2AGAA
SCHEMBL5686125 0.87 PARP10 (0.50) ADORA2APARP10GAABTK
SCHEMBL4559639 0.84 ADORA2A (0.39) ADORA2ASCN9AMEN1KMT2AGAA
SCHEMBL4559387 0.82 LMNA (0.45) ADORA2ASCN9ABTK
SCHEMBL5686383 0.80 BTK (0.41) ADORA2ASCN9AMEN1KMT2AGAA
SCHEMBL4559990 0.80 ALDH1A1 (0.46) ADORA2AMEN1KMT2AGAABTK
SCHEMBL5689008 0.79 LMNA (0.43) ADORA2AMEN1KMT2AGAAADORA1
SCHEMBL5686147 0.79 MGMT (0.45) ADORA2AADORA1
SCHEMBL24310426 0.77 ADORA2A (0.64) ADORA2ASCN9AMEN1KMT2ANUDT1
SCHEMBL29566545 0.77 ADORA2A (0.64) ADORA2ASCN9AMEN1KMT2ANUDT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 ADORA2A 1722/4885SCN9A 3945/4885MEN1 134/4885

“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.