SCHEMBL9901562

SCHEMBL9901562

C[Se]c1c(C(N)=O)ccc2ncnc(Nc3ccc(F)c(Cl)c3)c12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.61
EGFR P00533 15/20 0.59
AURKA O14965 2/20 0.56
RPS6KB1 P23443 1/20 0.56
ERBB2 P04626 6/20 0.53
GRM1 Q13255 1/20 0.47
ERBB4 Q15303 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
INSR P06213 1/20 0.47
FBP1 P09467 1/20 0.47
PDGFRB P09619 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
CLK1 P49759 1/20 0.47
EPHB4 P54760 1/20 0.47
TEK Q02763 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL9901154 0.91 EGFR (0.55) DYRK1AEGFRAURKARPS6KB1ERBB2
SCHEMBL14733429 0.76 DYRK1A (1.00) DYRK1AEGFRERBB2
SCHEMBL17060609 0.76 DYRK1A (1.00) DYRK1AEGFRERBB2
SCHEMBL27686240 0.75 EGFR (0.63) EGFRAURKARPS6KB1ERBB2GRM1
SCHEMBL7120632 0.75 EGFR (0.76) DYRK1AEGFRAURKARPS6KB1ERBB2
SCHEMBL6129182 0.74 EGFR (0.75) EGFRAURKAERBB2ERBB4INSR
SCHEMBL23950086 0.74 EGFR (0.66) DYRK1AEGFRAURKAERBB2GRM1
SCHEMBL2714067 0.73 AURKA (0.57) DYRK1AEGFRAURKARPS6KB1ERBB2
Water SCHEMBL28549001 0.73 EGFR (0.74) EGFRAURKAERBB2ERBB4INSR
SCHEMBL27860183 0.73 EGFR (0.63) EGFRAURKARPS6KB1ERBB2GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648509-B1 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LTD (IN) 2015-04-29 EP claimed
EP-2648509-A2 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Kasina Laila Innova Pharmaceuticals Private Ltd. (IN) 2013-10-16 EP claimed
WO-2012077135-A2 SUBSTITUTED 4-(ARYLAMINO) SELENOPHENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED (IN) 2012-06-14 WO claimed
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 DYRK1A 2910/4885EGFR 443/4885AURKA 1612/4885

“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.