SCHEMBL1115453

SCHEMBL1115453

c1ccc2c(c1)-c1cnc(Nc3ccc(N4CCOCC4)cc3)nc1C21CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.53
▸ IGF1R P08069 2/20 0.49
▸ SYK P43405 1/20 0.47
▸ STAT6 P42226 3/20 0.47
▸ PLK4 O00444 3/20 0.47
▸ JAK2 O60674 3/20 0.46
▸ CDK6 Q00534 2/20 0.46
▸ CCNK O75909 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ CDK9 P50750 1/20 0.46
▸ AXL P30530 1/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ JUN P05412 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
SCHEMBL1115436 0.93 WEE1 (0.47) LRRK2STAT6JAK2CDK6CCNA2
SCHEMBL1115422 0.92 CDK4 (0.49) LRRK2IGF1RSTAT6CDK6CCNA2
SCHEMBL1115476 0.91 CDK2 (0.45) LRRK2STAT6CDK6CCNA2CDK2
SCHEMBL12727738 0.90 LRRK2 (0.52) LRRK2IGF1RSYKPLK4JAK2
SCHEMBL1115244 0.88 CDK4 (0.49) SYKSTAT6CDK6CCNA2CDK2
SCHEMBL1115415 0.85 TNK2 (0.52) CDK6CCNKCCNA2CDK2CCND3
SCHEMBL12727736 0.82 CDK4 (0.51) LRRK2PLK4CDK6CCNA2CDK2
SCHEMBL12727743 0.82 CDK4 (0.49) LRRK2JAK2CDK6CCNA2CDK2
SCHEMBL1115315 0.81 TNK2 (0.55) CDK6CCNKCCNA2CDK2CCND3
SCHEMBL1115440 0.77 CDK4 (0.48) LRRK2IGF1RSTAT6CDK6CCNK

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
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
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 LRRK2 448/4885IGF1R 1232/4885SYK 3022/4885

“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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