SCHEMBL9905128

SCHEMBL9905128

O=c1[nH]cnc2[se]c3c(c12)CCCC3

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
CHEK1 O14757 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 2/20 0.44
PARP1 P09874 3/20 0.35
HPGD P15428 4/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PDPK1 O15530 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
SCHEMBL15348688 0.75 HTT (0.42) KMT2ACHEK1TSHRHTTGAA
SCHEMBL9905061 0.71 CYP1A2 (0.50) KMT2ATSHRHTTGAAPARP1
SCHEMBL2624085 0.66 TSHR (0.49) KMT2ACHEK1TSHRHTTGAA
SCHEMBL28701461 0.66 KMT2A (0.49) KMT2ACHEK1TSHRHTTGAA
SCHEMBL12349970 0.65 GAA (0.50) KMT2ACHEK1TSHRHTTGAA
SCHEMBL13911357 0.65 GAA (0.50) KMT2ACHEK1TSHRHTTGAA
SCHEMBL736600 0.65 HTT (1.00) KMT2ACHEK1TSHRHTTGAA
SCHEMBL914710 0.64 GAA (1.00) KMT2ACHEK1TSHRHTTGAA
SCHEMBL3542410 0.62 NPSR1 (0.49) KMT2ACHEK1TSHRHTTGAA
SCHEMBL916128 0.61 NPSR1 (1.00) KMT2ACHEK1TSHRHTTGAA

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 KMT2A 2100/4885CHEK1 468/4885TSHR 1995/4885

“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.