SCHEMBL1115195

SCHEMBL1115195

CN(C)C1CCN(c2ccc(Nc3ncc4c(n3)C3(C=CC(C)(C)CC3)c3cnccc3-4)nn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 20/20 0.52
▸ CDK6 Q00534 7/20 0.52
▸ CCND1 P24385 2/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ CCNB1 P14635 1/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ CDK2 P24941 1/20 0.49

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
SCHEMBL12162415 1.00 CDK4 (0.52) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL12727723 0.89 CDK4 (0.53) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL12162448 0.89 CDK4 (0.51) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL1115163 0.89 CDK4 (0.53) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL15875444 0.89 CDK4 (0.51) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL15875549 0.87 CDK4 (0.47) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL12727726 0.77 CDK4 (0.39) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL1115176 0.76 JAK3 (0.40) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL12162446 0.76 JAK3 (0.40) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL1115258 0.76 CDK4 (0.51) CDK4CDK6CCND1CDK1CCNB1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353542-A1 METHODS OF USING CELL-CYCLE INHIBITORS TO MODULATE ONE OR MORE PROPERTIES OF A CELL CULTURE AMGEN INC. (US) 2015-12-10 — — US claimed
WO-2014109858-A1 METHODS OF USING CELL-CYCLE INHIBITORS TO MODULATE ONE OR MORE PROPERTIES OF A CELL CULTURE AMGEN INC. (US) 2014-07-17 — — WO claimed
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-20180087079-A1 METHODS OF USING CELL-CYCLE INHIBITORS TO MODULATE ONE OR MORE PROPERTIES OF A CELL CULTURE AMGEN INC. (US) 2018-03-29 — — US disclosed
US-20150353542-A1 METHODS OF USING CELL-CYCLE INHIBITORS TO MODULATE ONE OR MORE PROPERTIES OF A CELL CULTURE AMGEN INC. (US) 2015-12-10 — — US disclosed
WO-2014109858-A1 METHODS OF USING CELL-CYCLE INHIBITORS TO MODULATE ONE OR MORE PROPERTIES OF A CELL CULTURE AMGEN INC. (US) 2014-07-17 — — WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 1/4885CDK6 3/4885CCND1 14/4885
US-20180087079-A1 METHODS OF USING CELL-CYCLE INHIBITORS TO MODULATE ONE OR MORE PROPERTIES OF A CELL CULTURE CDKN1A, CDC25C, CDC25B CDK4 18/4885CDK6 43/4885CCND1 52/4885
US-20150353542-A1 METHODS OF USING CELL-CYCLE INHIBITORS TO MODULATE ONE OR MORE PROPERTIES OF A CELL CULTURE CDKN1A, CDC25C, CDC25B CDK4 18/4885CDK6 43/4885CCND1 52/4885

“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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