SCHEMBL1115436

SCHEMBL1115436

c1ccc2c(c1)-c1cnc(Nc3ccc(N4CCNCC4)cc3)nc1C21CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 4/20 0.47
▸ CDK4 P11802 8/20 0.47
▸ CDK6 Q00534 4/20 0.47
▸ CCND1 P24385 4/20 0.47
▸ CDK2 P24941 4/20 0.47
▸ CCNA2 P20248 3/20 0.47
▸ CCNE1 P24864 2/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ FGFR1 P11362 2/20 0.46
▸ FGFR2 P21802 2/20 0.46
▸ FGFR4 P22455 2/20 0.46
▸ FGFR3 P22607 2/20 0.46
▸ CCNE2 O96020 1/20 0.46
▸ CCND2 P30279 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ CCNA1 P78396 1/20 0.46
▸ STAT6 P42226 2/20 0.45
▸ MAPK8 P45983 1/20 0.45
▸ MAPK9 P45984 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
SCHEMBL1115244 0.95 CDK4 (0.49) WEE1CDK4CDK6CCND1CDK2
SCHEMBL1115476 0.94 CDK2 (0.45) WEE1CDK4CDK6CCND1CDK2
SCHEMBL1115422 0.93 CDK4 (0.49) WEE1CDK4CDK6CCND1CDK2
SCHEMBL1115453 0.93 LRRK2 (0.53) CDK4CDK6CDK2CCNA2CCND3
SCHEMBL12727736 0.89 CDK4 (0.51) WEE1CDK4CDK6CCND1CDK2
SCHEMBL1115315 0.84 TNK2 (0.55) CDK4CDK6CCND1CDK2CCNA2
SCHEMBL12727738 0.82 LRRK2 (0.52) CDK4CDK6CCND1CDK2CCNA2
SCHEMBL12727743 0.82 CDK4 (0.49) WEE1CDK4CDK6CCND1CDK2
SCHEMBL1115415 0.81 TNK2 (0.52) WEE1CDK4CDK6CCND1CDK2
SCHEMBL2569620 0.80 ALK (0.45) CDK4CCND1CDK2CCND2CCND3

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
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
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 WEE1 66/4885CDK4 1/4885CDK6 3/4885

“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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