SCHEMBL9901153

SCHEMBL9901153

Cc1c(C(=O)O)[se]c2ncnc(Nc3ccc(F)c(Cl)c3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.50
DYRK1A Q13627 1/20 0.48
ERBB2 P04626 6/20 0.48
AURKA O14965 2/20 0.47
RPS6KB1 P23443 1/20 0.47
KDR P35968 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ERBB4 Q15303 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
INSR P06213 1/20 0.45
FBP1 P09467 1/20 0.45
PDGFRB P09619 1/20 0.45
FLT4 P35916 1/20 0.45
CLK1 P49759 1/20 0.45
EPHB4 P54760 1/20 0.45
TEK Q02763 1/20 0.45
AURKB Q96GD4 1/20 0.45

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
SCHEMBL9901558 0.90 DYRK1A (0.56) EGFRDYRK1AERBB2AURKARPS6KB1
SCHEMBL16667243 0.85 EGFR (0.47) EGFRDYRK1AERBB2AURKARPS6KB1
SCHEMBL16667301 0.83 DYRK1A (0.48) EGFRDYRK1AERBB2AURKARPS6KB1
SCHEMBL16667189 0.79 AURKA (0.48) EGFRDYRK1AERBB2AURKARPS6KB1
SCHEMBL15348704 0.77 EGFR (0.51) EGFRERBB2AURKARPS6KB1KDR
SCHEMBL16667191 0.75 EGFR (0.48) EGFRDYRK1AERBB2AURKARPS6KB1
SCHEMBL9902301 0.73 EGFR (0.57) EGFRERBB2AURKARPS6KB1KDR
SCHEMBL9905219 0.72 EGFR (0.61) EGFRERBB2AURKAKDRPOLB
SCHEMBL9905105 0.72 EGFR (0.49) EGFRDYRK1AERBB2AURKAKDR
SCHEMBL9901154 0.72 EGFR (0.55) EGFRDYRK1AERBB2AURKARPS6KB1

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 EGFR 443/4885DYRK1A 2910/4885ERBB2 1100/4885

“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.