SCHEMBL4116558

SCHEMBL4116558

CCCN(C(=O)C(F)(F)F)[C@H]1C[C@@H](n2cnc3c(NCC(c4ccc(OC)cc4)c4ccc(OC)cc4)nc(N4CC[C@@H](N)C4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.39
CCNE2 O96020 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
CCNA2 P20248 1/20 0.37
CCNA1 P78396 1/20 0.37
ADORA3 P0DMS8 8/20 0.37
ADORA2B P29275 2/20 0.35
ADORA1 P30542 2/20 0.35
CDK1 P06493 1/20 0.35
CDK5 Q00535 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
SCHEMBL4112834 0.94 ADORA2A (0.40) ADORA2ACCNE2CCNE1CDK2CCNA2
SCHEMBL4111505 0.92 ADORA2A (0.42) ADORA2ACCNE2CCNE1CDK2CCNA2
SCHEMBL244005 0.92 CCNE2 (0.38) ADORA2ACCNE2CCNE1CDK2ADORA3
SCHEMBL4110918 0.88 ADORA2A (0.37) ADORA2ACCNE2CCNE1CDK2ADORA3
SCHEMBL4122717 0.87 ADORA2A (0.39) ADORA2AADORA3ADORA2BADORA1
SCHEMBL243678 0.86 ADORA2A (0.43) ADORA2AADORA3ADORA2BADORA1
SCHEMBL1412210 0.86 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1
SCHEMBL244571 0.86 ADORA2A (0.42) ADORA2AADORA3ADORA2BADORA1
SCHEMBL1402098 0.85 ADORA2A (0.47) ADORA2AADORA3ADORA2BADORA1
SCHEMBL1402023 0.85 ADORA2A (0.38) ADORA2ACCNE2CCNE1CDK2CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 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-20090099214-A1 Organic Compounds CYP3A43, OXER1, OPRM1 ADORA2A 2082/4885CCNE2 444/4885CCNE1 267/4885

“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.