SCHEMBL9901697

SCHEMBL9901697

CC(C)(C)OC(=O)N1CCc2c([se]c(N)c2C#N)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
NR1H2 P55055 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
BPTF Q12830 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
F12 P00748 2/20 0.35
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7415947 0.78 NR1H2 (0.50) ADORA1NR1H2MAPTKDM4EGAA
SCHEMBL2643671 0.76 MAPT (0.73) ADORA1NR1H2MAPTKDM4EGAA
SCHEMBL12908936 0.76 ADORA1 (0.46) ADORA1NR1H2MAPTKDM4EGAA
SCHEMBL17018767 0.76 NR1H2 (0.58) ADORA1NR1H2MAPTKDM4EGAA
SCHEMBL21605391 0.74 MAPT (0.60) ADORA1NR1H2MAPTKDM4EGAA
SCHEMBL3141072 0.74 MAPT (0.46) ADORA1NR1H2MAPTKDM4EGAA
SCHEMBL17018766 0.72 ESR2 (0.54) ADORA1NR1H2MAPTKDM4EGAA
SCHEMBL32682824 0.72 MAPT (0.61) ADORA1NR1H2MAPTKDM4EGAA
SCHEMBL20922384 0.71 ADORA1 (0.55) ADORA1MAPTKDM4EGAABPTF
SCHEMBL17194311 0.71 ADORA1 (0.55) ADORA1MAPTKDM4EGAABPTF

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090633-B2 Substituted 4-(arylamino) selenophenopyrimidine compounds and methods of use thereof KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2015-07-28 US disclosed
EP-2648509-B1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) 2015-04-29 EP disclosed
US-20130287767-A1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2013-10-31 US disclosed
EP-2648509-A2 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) 2013-10-16 EP disclosed
WO-2012077135-A2 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2012-06-14 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-20130287767-A1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF SELENOI, VHL, DPYD ADORA1 4263/4885NR1H2 1515/4885MAPT 3878/4885

“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.