SCHEMBL10156055

SCHEMBL10156055

CCC(=O)NC1CC(n2cnc3c(NCc4cccc5ccccc45)nc(N4CC[C@@H](NC(=O)NC5CCN(C)C5)C4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.44
ADORA3 P0DMS8 8/20 0.44
ADORA1 P30542 1/20 0.43
CDK1 P06493 1/20 0.39
CDK5 Q00535 1/20 0.39
CSNK1E P49674 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CDK7 P50613 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL10155768 0.97 ADORA2A (0.45) ADORA2AADORA3ADORA1CDK1CDK5
SCHEMBL10156300 0.97 ADORA2A (0.45) ADORA2AADORA3ADORA1CDK1CDK5
Trifluoroacetic Acid SCHEMBL1402062 0.88 ADORA2A (0.41) ADORA2AADORA3ADORA1CDK1CDK5
SCHEMBL10156027 0.87 ADORA2A (0.60) ADORA2AADORA3ADORA1CDK1CDK5
SCHEMBL13246069 0.86 ADORA2A (0.42) ADORA2AADORA3ADORA1
Trifluoroacetic Acid SCHEMBL1402140 0.86 ADORA2A (0.44) ADORA2AADORA3ADORA1CDK1CDK5
SCHEMBL10156051 0.85 ADORA2A (0.45) ADORA2AADORA3CDK1CDK5
SCHEMBL10156044 0.84 ADORA2A (0.54) ADORA2AADORA3ADORA1
Trifluoroacetic Acid SCHEMBL243104 0.83 ADORA2A (0.43) ADORA2AADORA3ADORA1CDK1CDK5
SCHEMBL10156038 0.83 ADORA2A (0.56) ADORA2AADORA3ADORA1

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-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US 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-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 ADORA2A 1137/4885ADORA3 1044/4885ADORA1 697/4885

“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.