SCHEMBL1642972

SCHEMBL1642972

Fc1cccc2c1OC1(CCCCC1)c1nc(Nc3ccc(N4CCNCC4)cn3)ncc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 14/20 0.49
CCND1 P24385 13/20 0.49
CDK4 P11802 12/20 0.49
CCND3 P30281 7/20 0.49
CDK2 P24941 5/20 0.48
PIM1 P11309 4/20 0.48
CCNA2 P20248 4/20 0.48
CCNE2 O96020 2/20 0.48
CDK1 P06493 2/20 0.48
CCNE1 P24864 2/20 0.48
CCND2 P30279 2/20 0.46
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46
CCNA1 P78396 1/20 0.46
CCNK O75909 1/20 0.45
CDK9 P50750 1/20 0.45
CTSL P07711 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL16314454 0.92 CDK2 (0.51) CDK6CCND1CDK4CCND3CDK2
SCHEMBL1115328 0.91 WEE1 (0.52) CDK6CCND1CDK4CCND3CDK2
SCHEMBL1643395 0.88 CDK4 (0.46) CDK6CCND1CDK4CCND3CDK2
SCHEMBL1115373 0.86 CDK4 (0.48) CDK6CCND1CDK4CCND3CDK2
SCHEMBL1643493 0.86 CDK4 (0.51) CDK6CCND1CDK4CCND3CDK2
SCHEMBL1115483 0.85 CDK4 (0.52) CDK6CCND1CDK4CCND3CDK2
SCHEMBL2564026 0.84 CDK4 (0.53) CDK6CCND1CDK4CCND3CDK2
SCHEMBL1115541 0.84 WEE1 (0.52) CDK6CDK4
SCHEMBL1115188 0.78 CDK6 (0.51) CDK6CCND1CDK4CCND3CDK2
SCHEMBL2568469 0.78 CCND1 (0.51) CDK6CCND1CDK4CCND3CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278973-B1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC (US) 2011-11-02 EP claimed
US-20110097305-A1 Gem-Disubstituted and Spirocyclic Amino Pyridines/Pyrimidines as Cell Cycle Inhibitors AMGEN INC. (US) 2011-04-28 US claimed
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
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
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
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 CDK6 3/4885CCND1 14/4885CDK4 1/4885

“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.