SCHEMBL12162407

SCHEMBL12162407

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc4c(n3)C3(CCOCC3)Oc3cccnc3-4)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCND3 P30281 2/20 0.52
▸ CDK2 P24941 2/20 0.52
▸ CCNK O75909 1/20 0.52
▸ CCNA2 P20248 1/20 0.52
▸ CDK9 P50750 1/20 0.52
▸ CDK6 Q00534 1/20 0.52
▸ CDK4 P11802 2/20 0.45
▸ CCND1 P24385 2/20 0.45
▸ CCND2 P30279 1/20 0.45
▸ JAK2 O60674 2/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ SYK P43405 1/20 0.45
▸ ALK Q9UM73 8/20 0.44
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ PKMYT1 Q99640 1/20 0.40

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
SCHEMBL1115314 0.89 ALK (0.41) CDK2CDK4CCND1JAK2JAK3
SCHEMBL1643117 0.84 CCND3 (0.56) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL12162440 0.83 CCND3 (0.51) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL1115161 0.82 CDK4 (0.47) CDK2CDK6CDK4CCND1CDK1
SCHEMBL2568295 0.78 PKMYT1 (0.35) CDK2CDK4CCND1JAK2JAK3
SCHEMBL31266515 0.75 JAK2 (0.62) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL1115374 0.74 CCND3 (0.57) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL1115230 0.74 CCND3 (0.41) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL29669885 0.72 JAK2 (0.66) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL28689498 0.72 JAK2 (0.66) CCND3CDK2CCNKCCNA2CDK9

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 5 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 disclosed
US-8389533-B2 Gem-disubstituted and spirocyclic amino pyridines/pyrimidines as cell cycle inhibitors AMGEN INC. (US) 2013-03-05 — — 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 CCND3 23/4885CDK2 4/4885CCNK 30/4885

“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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