SCHEMBL947273

SCHEMBL947273

OCc1cccc(CCN2CCOCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.58
▸ SIGMAR1 Q99720 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ MEN1 O00255 2/20 0.39

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
SCHEMBL947589 0.91 CXCR4 (0.55) CXCR4SIGMAR1POLBLMNAKMT2A
SCHEMBL946191 0.84 CXCR4 (0.58) CXCR4SIGMAR1POLBLMNAKMT2A
SCHEMBL22304486 0.84 CXCR4 (0.83) CXCR4LMNAKMT2AALDH1A1MAPT
SCHEMBL5501972 0.82 CXCR4 (0.55) CXCR4SIGMAR1POLBLMNAKMT2A
SCHEMBL12666432 0.81 CXCR4 (0.71) CXCR4SIGMAR1POLBL3MBTL1
SCHEMBL950191 0.76 CXCR4 (0.55) CXCR4SIGMAR1POLBLMNAKMT2A
SCHEMBL20745473 0.75 ABL1 (0.50) SIGMAR1POLBLMNAALDH1A1MAPT
SCHEMBL29604383 0.74 CXCR4 (1.00) CXCR4KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL6475308 0.74 GAA (0.51) CXCR4GAA
SCHEMBL6025900 0.74 KDM4E (0.52) CXCR4SIGMAR1POLBALDH1A1KDM4E

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-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 — — US disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 — — US disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 — — US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 — — US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 — — US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 — — US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 — — US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 — — US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 — — US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 — — US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 — — US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 — — EP disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 — — EP disclosed
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 — — EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 — — 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 (2 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 CXCR4 871/4885SIGMAR1 1884/4885POLB 3905/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 CXCR4 871/4885SIGMAR1 1884/4885POLB 3905/4885

“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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