SCHEMBL4124600

SCHEMBL4124600

CCCN(C(=O)C(F)(F)F)[C@H]1C[C@@H](n2cnc3c(NCCc4ccc(S(N)(=O)=O)cc4)nc(N4CC[C@@H](N)C4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.37
CCNA2 P20248 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
ADORA3 P0DMS8 12/20 0.36
ADORA2A P29274 4/20 0.35
TMIGD3 P0DMS9 3/20 0.35
ADORA1 P30542 2/20 0.34
ADORA2B P29275 1/20 0.34
CDK1 P06493 1/20 0.33
CDK5 Q00535 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL241329 0.93 ADORA3 (0.36) ADORA3ADORA2ATMIGD3ADORA1ADORA2B
SCHEMBL4119749 0.89 ADORA3 (0.34) ADORA3ADORA2ATMIGD3ADORA1ADORA2B
SCHEMBL4110160 0.87 DNMT1 (0.39) ADORA3ADORA2AADORA1CA1CA2
Trifluoroacetic Acid SCHEMBL4124585 0.84 ADORA2A (0.44) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL1402023 0.83 ADORA2A (0.38) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL4113508 0.83 ADORA3 (0.35) ADORA3ADORA2AADORA1ADORA2BCA1
SCHEMBL4111357 0.82 CCNE2 (0.38) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL4112834 0.82 ADORA2A (0.40) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL1402144 0.82 ADORA3 (0.42) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL4124286 0.82 ADORA2A (0.40) ADORA3ADORA2AADORA1ADORA2BCA1

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 CCNE2 444/4885CCNA2 1283/4885CCNE1 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.