SCHEMBL1115360

SCHEMBL1115360

Nc1ncc2c(n1)C1(CCOCC1)Oc1cccnc1-2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.34
▸ MTOR P42345 3/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ ALOX5AP P20292 3/20 0.32
▸ CCNC P24863 2/20 0.32
▸ CDK8 P49336 2/20 0.32
▸ HASPIN Q8TF76 2/20 0.32
▸ CDK19 Q9BWU1 2/20 0.32
▸ DHFR P00374 1/20 0.32
▸ PIK3R1 P27986 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL1115199 0.84 KDM4E (0.35) PIK3CAMTORPIK3CDPIK3CGCCNC
SCHEMBL1115156 0.81 PIK3CA (0.34) PIK3CAMTORPIK3CDPIK3CGALOX5AP
SCHEMBL1643495 0.73 ALDH1A1 (0.36) ALOX5APDHFRADORA1ADORA2AKDM4E
SCHEMBL1642247 0.73 ALDH1A1 (0.36) ALOX5APDHFRADORA1ADORA2AKDM4E
SCHEMBL1115345 0.72 DHFR (0.33) PIK3CAMTORPIK3CDPIK3CGALOX5AP
SCHEMBL1643196 0.72 ALDH1A1 (0.37) ALOX5APDHFRADORA1ADORA2AKDM4E
SCHEMBL12769437 0.70 S1PR1 (0.35) ALOX5APADORA1ADORA2AKDM4EALDH1A1
SCHEMBL1115314 0.70 ALK (0.41) —
SCHEMBL1115194 0.69 ALOX5AP (0.31) ALOX5AP
SCHEMBL1115148 0.68 ALOX5AP (0.34) PIK3CAMTORPIK3CDPIK3CGALOX5AP

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 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
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
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 PIK3CA 356/4885MTOR 208/4885PIK3CD 471/4885

“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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