SCHEMBL12727791

SCHEMBL12727791

CC1CN(c2ccc(Nc3ncc4c(n3)C3(C=CC(C)(C)CC3)c3cnccc3-4)nc2)CC(C)N1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 19/20 0.50
▸ CCND1 P24385 7/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ CDK6 Q00534 8/20 0.45
▸ CDK1 P06493 2/20 0.45
▸ CCNA2 P20248 2/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ CCND3 P30281 3/20 0.44
▸ CCND2 P30279 2/20 0.42

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
SCHEMBL1115258 0.87 CDK4 (0.51) CDK4CCND1CDK2CDK6CDK1
SCHEMBL12727721 0.87 CDK4 (0.51) CDK4CCND1CDK2CDK6CDK1
SCHEMBL14732090 0.85 CDK4 (0.39) CDK4CCND1CDK2CDK6CDK1
SCHEMBL15875444 0.84 CDK4 (0.51) CDK4CCND1CDK2CDK6CDK1
SCHEMBL12162448 0.84 CDK4 (0.51) CDK4CCND1CDK2CDK6CDK1
SCHEMBL2565742 0.79 CDK4 (0.42) CDK4CCND1CDK6CDK1CCNB1
SCHEMBL12727722 0.78 CDK2 (0.45) CDK4CCND1CDK2CDK6CDK1
SCHEMBL1115502 0.78 CDK2 (0.45) CDK4CCND1CDK2CDK6CDK1
SCHEMBL15875549 0.77 CDK4 (0.47) CDK4CCND1CDK2CDK6CDK1
SCHEMBL1115195 0.75 CDK4 (0.52) CDK4CCND1CDK2CDK6CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389533-B2 Gem-disubstituted and spirocyclic amino pyridines/pyrimidines as cell cycle inhibitors AMGEN INC. (US) 2013-03-05 — — US disclosed
US-8389533-B2 Gem-disubstituted and spirocyclic amino pyridines/pyrimidines as cell cycle inhibitors AMGEN INC. (US) 2013-03-05 — — US disclosed
EP-2278973-B1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC (US) 2011-11-02 — — EP disclosed
US-20110097305-A1 Gem-Disubstituted and Spirocyclic Amino Pyridines/Pyrimidines as Cell Cycle Inhibitors AMGEN INC. (US) 2011-04-28 — — US disclosed
US-20110097305-A1 Gem-Disubstituted and Spirocyclic Amino Pyridines/Pyrimidines as Cell Cycle Inhibitors AMGEN INC. (US) 2011-04-28 — — US disclosed
WO-2009126584-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-10-15 — — WO 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-20110097305-A1 Gem-Disubstituted and Spirocyclic Amino Pyridines/Pyrimidines as Cell Cycle Inhibitors CDK4, CDK3, CDK6 CDK4 1/4885CCND1 14/4885CDK2 4/4885

“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.

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