SCHEMBL1115476

SCHEMBL1115476

c1ccc2c(c1)-c1cnc(Nc3ccc(N4CCCCC4)cc3)nc1C21CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.45
▸ CCNA2 P20248 5/20 0.45
▸ CDK4 P11802 9/20 0.44
▸ CDK6 Q00534 3/20 0.44
▸ CCND1 P24385 6/20 0.44
▸ FGFR1 P11362 2/20 0.44
▸ FGFR2 P21802 2/20 0.44
▸ FGFR4 P22455 2/20 0.44
▸ FGFR3 P22607 2/20 0.44
▸ LRRK2 Q5S007 1/20 0.43
▸ CCNE1 P24864 3/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ CCNB1 P14635 2/20 0.43
▸ CCND2 P30279 3/20 0.43
▸ CCND3 P30281 3/20 0.43
▸ TNK2 Q07912 1/20 0.42
▸ WEE1 P30291 5/20 0.42
▸ CCNE2 O96020 2/20 0.42
▸ CCNA1 P78396 2/20 0.42
▸ CCNB2 O95067 1/20 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
SCHEMBL1115436 0.94 WEE1 (0.47) CDK2CCNA2CDK4CDK6CCND1
SCHEMBL1115244 0.93 CDK4 (0.49) CDK2CCNA2CDK4CDK6CCND1
SCHEMBL1115453 0.91 LRRK2 (0.53) CDK2CCNA2CDK4CDK6LRRK2
SCHEMBL1115422 0.87 CDK4 (0.49) CDK2CCNA2CDK4CDK6CCND1
SCHEMBL12727736 0.83 CDK4 (0.51) CDK2CCNA2CDK4CDK6CCND1
SCHEMBL1115315 0.82 TNK2 (0.55) CDK2CCNA2CDK4CDK6CCND1
SCHEMBL2569620 0.82 ALK (0.45) CDK2CDK4CCND1CCND2CCND3
SCHEMBL12727738 0.81 LRRK2 (0.52) CDK2CCNA2CDK4CDK6CCND1
SCHEMBL1115415 0.80 TNK2 (0.52) CDK2CCNA2CDK4CDK6CCND1
SCHEMBL1115374 0.77 CCND3 (0.57) CDK2CCNA2CDK4CDK6CCND1

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
US-8389533-B2 Gem-disubstituted and spirocyclic amino pyridines/pyrimidines as cell cycle inhibitors AMGEN INC. (US) 2013-03-05 — — US claimed
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
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
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 CDK2 4/4885CCNA2 43/4885CDK4 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.

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