SCHEMBL1115336

SCHEMBL1115336

CC1(C)CCC2(CC1)Oc1ncccc1-c1cnc(Nc3ccc(N4CCNCC4)cn3)nc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 15/20 0.50
▸ CCND1 P24385 11/20 0.50
▸ CDK6 Q00534 9/20 0.50
▸ CDK1 P06493 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ CDK2 P24941 2/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ CCND3 P30281 2/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ FGFR2 P21802 1/20 0.45
▸ FGFR4 P22455 1/20 0.45
▸ FGFR3 P22607 1/20 0.45
▸ CCND2 P30279 1/20 0.45
▸ CCNK O75909 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CDK9 P50750 1/20 0.45

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
SCHEMBL2568469 0.92 CCND1 (0.51) CDK4CCND1CDK6CDK1CCNB1
SCHEMBL2564026 0.91 CDK4 (0.53) CDK4CCND1CDK6CDK1CCNB1
SCHEMBL1115465 0.91 CDK4 (0.51) CDK4CCND1CDK6CDK1CCNB1
SCHEMBL12727715 0.88 CDK4 (0.53) CDK4CCND1CDK6CDK1CYP3A4
SCHEMBL1115316 0.88 CDK4 (0.53) CDK4CCND1CDK6CDK1CYP3A4
SCHEMBL1115390 0.84 WEE1 (0.46) CDK4CCND1CDK6CDK1CCNB1
SCHEMBL1115230 0.83 CCND3 (0.41) CDK4CCND1CDK6CDK1CCNB1
SCHEMBL1643147 0.82 CDK4 (0.51) CDK4CCND1CDK6CDK1CCNB1
SCHEMBL1115284 0.82 CDK4 (0.49) CDK4CCND1CDK6CDK2CCNE1
SCHEMBL1115483 0.80 CDK4 (0.52) CDK4CCND1CDK6CDK1CDK2

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 12 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
EP-2278973-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS Amgen Inc. (US) 2011-02-02 — — EP claimed
WO-2009126584-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-10-15 — — WO 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
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
EP-2278973-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS Amgen Inc. (US) 2011-02-02 — — EP disclosed
WO-2009126584-A1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-10-15 — — WO 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 14/4885CDK6 3/4885

“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.

Send feedback