SCHEMBL10156063

SCHEMBL10156063

CCC(=O)NC1CC(n2cnc3c(NCc4ccc(-c5ccccc5C#N)cc4)nc(N4CC[C@@H](NC(=O)NC5CCN(C)C5)C4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.41
ADORA3 P0DMS8 6/20 0.41
CCNE2 O96020 3/20 0.41
CCNA2 P20248 3/20 0.41
CCNE1 P24864 3/20 0.41
CDK2 P24941 3/20 0.41
CCNA1 P78396 3/20 0.41
CDK1 P06493 3/20 0.40
CDK5 Q00535 3/20 0.40
CSNK1E P49674 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CDK7 P50613 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
NT5E P21589 1/20 0.36
CTSL P07711 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL10156310 0.97 CCNE2 (0.43) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL10155775 0.97 CCNE2 (0.43) ADORA2AADORA3CCNE2CCNA2CCNE1
Trifluoroacetic Acid SCHEMBL4123529 0.89 ADORA2A (0.38) ADORA2AADORA3CCNE2CCNA2CCNE1
Trifluoroacetic Acid SCHEMBL4131725 0.88 CCNE1 (0.48) ADORA2AADORA3CCNE2CCNA2CCNE1
Trifluoroacetic Acid SCHEMBL238899 0.85 ADORA2A (0.41) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL13246071 0.85 ADORA2A (0.38) ADORA2AADORA3NT5EEGFR
SCHEMBL4123531 0.84 CCNE1 (0.36) ADORA2AADORA3CCNE2CCNA2CCNE1
SCHEMBL10156051 0.84 ADORA2A (0.45) ADORA2AADORA3CDK1CDK5EGFR
SCHEMBL10156055 0.83 ADORA2A (0.44) ADORA2AADORA3CDK1CDK5CSNK1E
SCHEMBL10156027 0.83 ADORA2A (0.60) ADORA2AADORA3CDK1CDK5

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 1044/4885CCNE2 437/4885

“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.