SCHEMBL9905061

SCHEMBL9905061

Cc1nc2[se]c3c(c2c(=O)[nH]1)CCCC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
HIF1A Q16665 1/20 0.50
PARP1 P09874 5/20 0.40
PARP15 Q460N3 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.33
BRD4 O60885 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9905128 0.71 KMT2A (0.48) PARP1ALDH1A1HPGDKDM4EGAA
SCHEMBL3122203 0.68 PARP1 (0.59) CYP1A2HIF1APARP1PARP15PARP3
SCHEMBL1367899 0.68 CYP1A2 (0.50) CYP1A2HIF1APARP1PARP15PARP3
SCHEMBL1368527 0.67 HIF1A (1.00) CYP1A2HIF1APARP1ALDH1A1HPGD
SCHEMBL10150407 0.65 PARP1 (0.59) CYP1A2HIF1APARP1PARP15PARP3
SCHEMBL14942690 0.61 HAVCR2 (0.56) CYP1A2HIF1APARP1PARP15PARP3
SCHEMBL7782060 0.60 CYP1A2 (0.42) CYP1A2HIF1APARP1PARP15PARP3
SCHEMBL18711836 0.60 PARP1 (0.62) CYP1A2HIF1APARP1PARP15PARP3
SCHEMBL24943541 0.59 PARP1 (0.54) CYP1A2HIF1APARP1PARP15PARP3
SCHEMBL23412885 0.59 PARP1 (0.54) CYP1A2HIF1APARP1PARP15PARP3

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 CYP1A2 441/4885HIF1A 1766/4885PARP1 2078/4885

“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.