SCHEMBL948367

SCHEMBL948367

CC(C)(C)OC(=O)CCCCc1cccc(CO)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
HDAC8 Q9BY41 1/20 0.35
EPHX2 P34913 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2A P29274 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
TBXAS1 P24557 1/20 0.32
STING1 Q86WV6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL946003 0.90 NPSR1 (0.42) KCNH2NPSR1CYP4F2CYP4A11KMT2A
SCHEMBL945801 0.82 CYP1A2 (0.36) KCNH2NPSR1CYP4F2CYP4A11HDAC8
SCHEMBL12210654 0.82 HDAC8 (0.40) CYP4F2CYP4A11HDAC8STING1
SCHEMBL19623088 0.81 CES1 (0.43) KCNH2HDAC8ADORA2A
SCHEMBL946119 0.80 NPSR1 (0.41) KCNH2NPSR1KMT2AMTNR1AMTNR1B
SCHEMBL24621514 0.77 NPSR1 (0.41) KCNH2NPSR1KMT2AMTNR1AMTNR1B
SCHEMBL6775183 0.75 KMT2A (0.44) KCNH2NPSR1KMT2AADORA2AKDM4E
SCHEMBL13199720 0.74 NPSR1 (0.36) NPSR1KMT2AMTNR1AMTNR1BSTING1
SCHEMBL945815 0.74 GRM5 (0.34) KMT2A
SCHEMBL13141152 0.73 DDB1 (0.37) NPSR1CYP4F2CYP4A11KMT2AKDM4E

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 9 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-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-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-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 KCNH2 787/4885NPSR1 527/4885CYP4F2 1288/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 KCNH2 787/4885NPSR1 527/4885CYP4F2 1288/4885

“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.