SCHEMBL21389733

SCHEMBL21389733

CC(=O)Nc1ncc(C(C)(C)N)s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 9/20 0.49
CDK2 P24941 9/20 0.49
CCNE2 O96020 8/20 0.49
CDK4 P11802 5/20 0.48
CDK1 P06493 4/20 0.48
CCND1 P24385 4/20 0.48
CCNB2 O95067 3/20 0.48
CCNB1 P14635 3/20 0.48
CCNB3 Q8WWL7 3/20 0.48
CCND2 P30279 1/20 0.45
CCND3 P30281 1/20 0.45
AOC3 Q16853 2/20 0.42
FFAR2 O15552 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PIK3CG P48736 2/20 0.41
MAPT P10636 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL179490 0.88 CCNE1 (0.52) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL21369612 0.81 CCNE1 (0.45) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL2174552 0.81 CA1 (0.49) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL19727246 0.80 CDK2 (0.47) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL13158536 0.77 CCNE1 (0.48) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL20049878 0.75 CCNE1 (0.43) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL13543136 0.75 SMN1; SMN2 (0.60) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL2175131 0.74 RAB9A (0.60) CCNE1CDK2CDK4CDK1LMNA
SCHEMBL21770026 0.73 CDK2 (0.53) CCNE1CDK2CCNE2CDK4CDK1
SCHEMBL1763394 0.73 CCNE1 (0.48) CCNE1CDK2CCNE2CDK4CDK1

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-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 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-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB CCNE1 1941/4885CDK2 128/4885CCNE2 2586/4885

“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.