SCHEMBL949433

SCHEMBL949433

CC(C)(C)OC(=O)C=Cc1cccc(CBr)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
HTT P42858 2/20 0.36
CYP2C19 P33261 2/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC6A2 P23975 1/20 0.36
TBXAS1 P24557 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
PDE4D Q08499 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 4/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
XPO1 O14980 1/20 0.34
NR1H4 Q96RI1 6/20 0.34

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
SCHEMBL949431 1.00 LMNA (0.36) LMNAHTTCYP2C19NR1I2PGR
SCHEMBL946916 0.88 LMNA (0.37) LMNAHTTCYP2C19NR1I2PGR
SCHEMBL946065 0.88 LMNA (0.37) LMNAHTTCYP2C19NR1I2PGR
SCHEMBL946064 0.88 LMNA (0.37) LMNAHTTCYP2C19NR1I2PGR
SCHEMBL4283486 0.80 KDM4E (0.45) LMNAHTTCYP2C19NR1I2PGR
SCHEMBL4283483 0.80 KDM4E (0.45) LMNAHTTCYP2C19NR1I2PGR
SCHEMBL12904542 0.80 ALDH1A1 (0.45) LMNAHTTCYP2C19NR1I2PGR
SCHEMBL1878437 0.80 HDAC3 (0.38) LMNAHTTCYP2C19NR1I2PGR
SCHEMBL1580130 0.80 LMNA (0.46) LMNAHTTCYP2C19NR1I2PGR
SCHEMBL14509728 0.78 KDM4E (0.49) LMNAHTTCYP2C19TBXAS1OPRK1

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 7 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-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 LMNA 3497/4885HTT 3700/4885CYP2C19 609/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 LMNA 3497/4885HTT 3700/4885CYP2C19 609/4885

“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.