SCHEMBL1115182

SCHEMBL1115182

CN1CCN(c2ccc(Nc3ncc4c(n3)C3(CCN(C(=O)c5ccccc5)CC3)Oc3ccccc3-4)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 5/20 0.48
▸ CCND1 P24385 5/20 0.48
▸ CDK1 P06493 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ CCND2 P30279 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ AXL P30530 2/20 0.46
▸ ALK Q9UM73 1/20 0.46
▸ TNK2 Q07912 1/20 0.45
▸ MAP3K7 O43318 5/20 0.45
▸ FGFR1 P11362 3/20 0.45
▸ SRC P12931 3/20 0.45
▸ EGFR P00533 2/20 0.45
▸ STAT6 P42226 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ FGFR4 P22455 1/20 0.44
▸ MAPK1 P28482 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
SCHEMBL16314483 0.86 AXL (0.38) CDK4CCND1CDK1CDK2BRD4
SCHEMBL1115334 0.86 ALK (0.50) CDK4CCND1CDK1CDK2BRD4
SCHEMBL1115292 0.84 TNK2 (0.49) CDK4CCND1CDK1CDK2BRD4
SCHEMBL1115321 0.83 ALK (0.42) CDK4CCND1CDK1CDK2CCND3
SCHEMBL1643117 0.78 CCND3 (0.56) CDK4CCND1CDK1CDK2CCND2
SCHEMBL1643760 0.76 WEE1 (0.47) CDK4CCND1CDK1CDK2CCND2
SCHEMBL1643626 0.76 WEE1 (0.47) CDK4CCND1CDK1CDK2CCND2
SCHEMBL1115407 0.75 CDK4 (0.47) CDK4CCND1CDK1CDK2CCND2
SCHEMBL1115440 0.75 CDK4 (0.48) CDK4CCND1CDK2CCND2CCND3
SCHEMBL1644121 0.75 CDK4 (0.37) CDK4CCND1CDK1CDK2CCND2

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 14 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
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
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
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 14/4885CDK1 22/4885

“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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